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164251613 molecular structure
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4-({[3-(furan-2-yl)-4-methylpentyl]amino}methyl)-N,N-dimethylaniline

ChemBase ID: 195703
Molecular Formular: C19H28N2O
Molecular Mass: 300.43842
Monoisotopic Mass: 300.22016353
SMILES and InChIs

SMILES:
c1(occc1)C(C(C)C)CCNCc1ccc(N(C)C)cc1
Canonical SMILES:
CC(C(c1ccco1)CCNCc1ccc(cc1)N(C)C)C
InChI:
InChI=1S/C19H28N2O/c1-15(2)18(19-6-5-13-22-19)11-12-20-14-16-7-9-17(10-8-16)21(3)4/h5-10,13,15,18,20H,11-12,14H2,1-4H3
InChIKey:
LLDNFWLKZOUQPR-UHFFFAOYSA-N

Cite this record

CBID:195703 http://www.chembase.cn/molecule-195703.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-({[3-(furan-2-yl)-4-methylpentyl]amino}methyl)-N,N-dimethylaniline
IUPAC Traditional name
4-({[3-(furan-2-yl)-4-methylpentyl]amino}methyl)-N,N-dimethylaniline
PubChem SID
164251613
PubChem CID
3820519

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3820519 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.84188473  LogD (pH = 7.4) 1.6317018 
Log P 4.0982413  Molar Refractivity 93.8693 cm3
Polarizability 35.975685 Å3 Polar Surface Area 28.41 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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