Chembase list of 866358 unique molecular structures

2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanoic acid

$$$$ Data

M. F.

C12H13NO4

Suppliers	Catalog Number
Matrix Scientific	038425

Database	Data ID
PubChem	3381846

M. W.

235.23592

CAS

Similarity

N/A

ID: 35652

[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl](furan-2-ylmethyl)amine

$$$$ Data

M. F.

C19H26N2O

Suppliers	Catalog Number
Matrix Scientific	038426

Database	Data ID
PubChem	25219738

M. W.

298.42254

CAS

Similarity

N/A

ID: 35653

[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl][3-(diethylamino)propyl]amine

$$$$ Data

M. F.

C21H37N3

Suppliers	Catalog Number
Matrix Scientific	038427

Database	Data ID
PubChem	25219739

M. W.

331.53858

CAS

Similarity

N/A

ID: 35654

[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl][3-(morpholin-4-yl)propyl]amine

$$$$ Data

M. F.

C21H35N3O

Suppliers	Catalog Number
Matrix Scientific	038428

Database	Data ID
PubChem	25219740

M. W.

345.5221

CAS

Similarity

N/A

ID: 35655

N-[(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]cyclopentanamine

$$$$ Data

M. F.

C17H26N2

Suppliers	Catalog Number
Matrix Scientific	038429

Database	Data ID
PubChem	25219741

M. W.

258.40174

CAS

Similarity

N/A

ID: 35656

N-(furan-2-ylmethyl)-2-methylcyclohexan-1-amine

$$$$ Data

M. F.

C12H19NO

Suppliers	Catalog Number
Matrix Scientific	038430

Database	Data ID
PubChem	2852556

M. W.

193.28536

CAS

Similarity

N/A

ID: 35657

(furan-2-ylmethyl)(3-methylbutyl)amine

$$$$ Data

M. F.

C10H17NO

Suppliers	Catalog Number
Matrix Scientific	038431

Database	Data ID
PubChem	16775041

M. W.

167.24808

CAS

Similarity

N/A

ID: 35658

N-[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]cyclopentanamine

$$$$ Data

M. F.

C18H28N2

Suppliers	Catalog Number
Matrix Scientific	038432

Database	Data ID
PubChem	25219742

M. W.

272.42832

CAS

Similarity

N/A

ID: 35659

(3-ethoxypropyl)[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine

$$$$ Data

M. F.

C18H30N2O

Suppliers	Catalog Number
Matrix Scientific	038433

Database	Data ID
PubChem	25219743

M. W.

290.4436

CAS

Similarity

N/A

ID: 35660

(butan-2-yl)[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine

$$$$ Data

M. F.

C17H28N2

Suppliers	Catalog Number
Matrix Scientific	038434

Database	Data ID
PubChem	25219744

M. W.

260.41762

CAS

Similarity

N/A

ID: 35661

[3-(propan-2-yloxy)propyl][(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amin...

$$$$ Data

M. F.

C19H32N2O

Suppliers	Catalog Number
Matrix Scientific	038435

Database	Data ID
PubChem	25219745

M. W.

304.47018

CAS

Similarity

N/A

ID: 35662

[(1-butyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl](3-methoxypropyl)amine

$$$$ Data

M. F.

C18H30N2O

Suppliers	Catalog Number
Matrix Scientific	038436

Database	Data ID
PubChem	25219746

M. W.

290.4436

CAS

Similarity

N/A

ID: 35663

2-methyl-N-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]cyclohexan-1-amine

$$$$ Data

M. F.

C18H28N2

Suppliers	Catalog Number
Matrix Scientific	038437

Database	Data ID
PubChem	25219747

M. W.

272.42832

CAS

Similarity

N/A

ID: 35664

N-benzyl-6-methylpyridin-2-amine

$$$$ Data

M. F.

C13H14N2

Suppliers	Catalog Number
Sigma Aldrich	344737
Matrix Scientific	038438

Database	Data ID
PubChem	112445

M. W.

198.26366

CAS

70644-47-2

Similarity

N/A

ID: 35665

2-[4-(piperidin-1-yl)piperidin-1-yl]ethan-1-amine

$$$$ Data

M. F.

C12H25N3

Suppliers	Catalog Number
Matrix Scientific	038439

Database	Data ID
PubChem	22945702

M. W.

211.347

CAS

Similarity

N/A

ID: 35666

[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl][3-(morpholin-4-yl)propyl]amin...

$$$$ Data

M. F.

C18H29N3O

Suppliers	Catalog Number
Matrix Scientific	038440

Database	Data ID
PubChem	25219748

M. W.

303.44236

CAS

Similarity

N/A

ID: 35667

[3-(diethylamino)propyl][(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine

$$$$ Data

M. F.

C18H31N3

Suppliers	Catalog Number
Matrix Scientific	038441

Database	Data ID
PubChem	25219749

M. W.

289.45884

CAS

Similarity

N/A

ID: 35668

6-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine

$$$$ Data

M. F.

C10H12ClNO

Suppliers	Catalog Number
Matrix Scientific	038442

Database	Data ID
PubChem	25219750

M. W.

197.66138

CAS

Similarity

N/A

ID: 35669

2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetic acid

$$$$ Data

M. F.

C11H11NO4

Suppliers	Catalog Number
Matrix Scientific	038443
Enamine	EN300-25542

Database	Data ID
PubChem	3381848

M. W.

221.20934

CAS

Similarity

N/A

ID: 35670

2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butanoic acid

$$$$ Data

M. F.

C13H15NO4

Suppliers	Catalog Number
Matrix Scientific	038444

Database	Data ID
PubChem	3381850

M. W.

249.2625

CAS

Similarity

N/A

ID: 35671

5-[(dibutylamino)methyl]furan-2-carbohydrazide

$$$$ Data

M. F.

C14H25N3O2

Suppliers	Catalog Number
Matrix Scientific	038445

Database	Data ID
PubChem	4126340

M. W.

267.3672

CAS

Similarity

N/A

ID: 35672

(3-aminopropyl)(3-ethoxypropyl)(furan-2-ylmethyl)amine

$$$$ Data

M. F.

C13H24N2O2

Suppliers	Catalog Number
Matrix Scientific	038446

Database	Data ID
PubChem	25219751

M. W.

240.34186

CAS

Similarity

N/A

ID: 35673

3-(butylsulfanyl)butan-1-amine

$$$$ Data

M. F.

C8H19NS

Suppliers	Catalog Number
Matrix Scientific	038447

Database	Data ID
PubChem	25219752

M. W.

161.30816

CAS

Similarity

N/A

ID: 35674

2-ethyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
Matrix Scientific	038448

Database	Data ID
PubChem	25219753

M. W.

177.2429

CAS

Similarity

N/A

ID: 35675

tert-butyl(furan-2-ylmethyl)amine

$$$$ Data

M. F.

C9H15NO

Suppliers	Catalog Number
ChemBridge	9071656
Matrix Scientific	038449

Database	Data ID
PubChem	4722608

M. W.

153.2215

CAS

115881-56-6

Similarity

N/A

ID: 35676

tert-butyl[2-(pyridin-4-yl)ethyl]amine

$$$$ Data

M. F.

C11H18N2

Suppliers	Catalog Number
Matrix Scientific	038450

Database	Data ID
PubChem	25219754

M. W.

178.27402

CAS

Similarity

N/A

ID: 35677

2-bromo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)butan-1-one

$$$$ Data

M. F.

C13H16BrNO

Suppliers	Catalog Number
Matrix Scientific	038451

Database	Data ID
PubChem	25219755

M. W.

282.17624

CAS

Similarity

N/A

ID: 35678

2-bromo-N-(4-methylphenyl)butanamide

$$$$ Data

M. F.

C11H14BrNO

Suppliers	Catalog Number
Matrix Scientific	038452

Database	Data ID
PubChem	3807125

M. W.

256.13896

CAS

Similarity

N/A

ID: 35679

2-{6-ethoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexane]-4-ylsulfanyl}acetic ...

$$$$ Data

M. F.

C18H24O4S

Suppliers	Catalog Number
Matrix Scientific	038453

Database	Data ID
PubChem	4126487

M. W.

336.44576

CAS

Similarity

N/A

ID: 35680

N-(2-aminoethyl)-N-ethyl-3-methylaniline

$$$$ Data

M. F.

C11H18N2

Suppliers	Catalog Number
Matrix Scientific	038454

Database	Data ID
PubChem	87984

M. W.

178.27402

CAS

23730-69-0

Similarity

N/A

ID: 35681

2-(4-propylpiperazin-1-yl)ethan-1-amine

$$$$ Data

M. F.

C9H21N3

Suppliers	Catalog Number
Matrix Scientific	038455

Database	Data ID
PubChem	10821070

M. W.

171.28314

CAS

Similarity

N/A

ID: 35682

3-[(2E)-3-(2-fluorophenyl)prop-2-enamido]propanoic acid

$$$$ Data

M. F.

C12H12FNO3

Suppliers	Catalog Number
Matrix Scientific	038456

Database	Data ID
PubChem	25219756

M. W.

237.2269832

CAS

Similarity

N/A

ID: 35683

{1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methanamine

$$$$ Data

M. F.

C15H24N2

Suppliers	Catalog Number
Matrix Scientific	038457

Database	Data ID
PubChem	25219757

M. W.

232.36446

CAS

Similarity

N/A

ID: 35684

{1-[(3-chlorophenyl)methyl]piperidin-4-yl}methanamine

$$$$ Data

M. F.

C13H19ClN2

Suppliers	Catalog Number
Matrix Scientific	038458

Database	Data ID
PubChem	24274894

M. W.

238.75636

CAS

Similarity

N/A

ID: 35685

2-bromo-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)butan-1-one

$$$$ Data

M. F.

C13H16BrNO2

Suppliers	Catalog Number
Matrix Scientific	038459

Database	Data ID
PubChem	25219758

M. W.

298.17564

CAS

Similarity

N/A

ID: 35686

2-bromo-N-(3-methylphenyl)propanamide

$$$$ Data

M. F.

C10H12BrNO

Suppliers	Catalog Number
ChemBridge	4024596
Matrix Scientific	038460

Database	Data ID
PubChem	532258

M. W.

242.11238

CAS

630119-85-6

Similarity

N/A

ID: 35687

2-bromo-N-(2-chlorophenyl)propanamide

$$$$ Data

M. F.

C9H9BrClNO

Suppliers	Catalog Number
Matrix Scientific	038461

Database	Data ID
PubChem	25219759

M. W.

262.53086

CAS

Similarity

N/A

ID: 35688

2-bromo-N-methyl-N-(3-methylphenyl)propanamide

$$$$ Data

M. F.

C11H14BrNO

Suppliers	Catalog Number
Matrix Scientific	038462

Database	Data ID
PubChem	25219760

M. W.

256.13896

CAS

Similarity

N/A

ID: 35689

2-bromo-N-[2-(trifluoromethyl)phenyl]propanamide

$$$$ Data

M. F.

C10H9BrF3NO

Suppliers	Catalog Number
Matrix Scientific	038463

Database	Data ID
PubChem	12546835

M. W.

296.0837696

CAS

Similarity

N/A

ID: 35690

2-bromo-N-(4-ethoxyphenyl)propanamide

$$$$ Data

M. F.

C11H14BrNO2

Suppliers	Catalog Number
Matrix Scientific	038464

Database	Data ID
PubChem	16762841

M. W.

272.13836

CAS

Similarity

N/A

ID: 35691

2-bromo-N-(4-fluorophenyl)propanamide

$$$$ Data

M. F.

C9H9BrFNO

Suppliers	Catalog Number
ChemBridge	4024594
Matrix Scientific	038465

Database	Data ID
PubChem	532257

M. W.

246.0762632

CAS

905797-71-9

Similarity

N/A

ID: 35692

2-bromo-N-ethyl-N-(3-methylphenyl)propanamide

$$$$ Data

M. F.

C12H16BrNO

Suppliers	Catalog Number
Matrix Scientific	038466

Database	Data ID
PubChem	533068

M. W.

270.16554

CAS

Similarity

N/A

ID: 35693

2-bromo-N-(2-methylphenyl)propanamide

$$$$ Data

M. F.

C10H12BrNO

Suppliers	Catalog Number
ChemBridge	4024595
Matrix Scientific	038467

Database	Data ID
PubChem	86865

M. W.

242.11238

CAS

19397-79-6

Similarity

N/A

ID: 35694

2-bromo-N-(2,3-dimethylphenyl)butanamide

$$$$ Data

M. F.

C12H16BrNO

Suppliers	Catalog Number
Matrix Scientific	038468

Database	Data ID
PubChem	16486097

M. W.

270.16554

CAS

Similarity

N/A

ID: 35695

2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

$$$$ Data

M. F.

C11H12BrNO3

Suppliers	Catalog Number
Matrix Scientific	038469

Database	Data ID
PubChem	25219761

M. W.

286.12188

CAS

Similarity

N/A

ID: 35696

2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

$$$$ Data

M. F.

C12H14BrNO3

Suppliers	Catalog Number
Matrix Scientific	038470

Database	Data ID
PubChem	5153519

M. W.

300.14846

CAS

Similarity

N/A

ID: 35697

2-bromo-N-(2-chlorophenyl)butanamide

$$$$ Data

M. F.

C10H11BrClNO

Suppliers	Catalog Number
Matrix Scientific	038471

Database	Data ID
PubChem	16486101

M. W.

276.55744

CAS

Similarity

N/A

ID: 35698

2-bromo-N-(3-chloro-2-methylphenyl)butanamide

$$$$ Data

M. F.

C11H13BrClNO

Suppliers	Catalog Number
Matrix Scientific	038472

Database	Data ID
PubChem	5084375

M. W.

290.58402

CAS

Similarity

N/A

ID: 35699

1-benzoylpiperidine-3-carboxylic acid

$$$$ Data

M. F.

C13H15NO3

Suppliers	Catalog Number
Matrix Scientific	038473
Enamine	EN300-73037

Database	Data ID
PubChem	3136474

M. W.

233.2631

CAS

Similarity

N/A

ID: 35700

2-bromo-N-(3,4-dimethoxyphenyl)butanamide

$$$$ Data

M. F.

C12H16BrNO3

Suppliers	Catalog Number
Matrix Scientific	038474

Database	Data ID
PubChem	25219762

M. W.

302.16434

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified