Home > Compound List > Compound details
26807-73-8 molecular structure
click picture or here to close

1-benzyl-1H-indol-5-amine

ChemBase ID: 101720
Molecular Formular: C15H14N2
Molecular Mass: 222.28506
Monoisotopic Mass: 222.11569846
SMILES and InChIs

SMILES:
n1(c2c(cc1)cc(cc2)N)Cc1ccccc1
Canonical SMILES:
Nc1ccc2c(c1)ccn2Cc1ccccc1
InChI:
InChI=1S/C15H14N2/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-10H,11,16H2
InChIKey:
UYDNPZLYDODKKA-UHFFFAOYSA-N

Cite this record

CBID:101720 http://www.chembase.cn/molecule-101720.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl-1H-indol-5-amine
IUPAC Traditional name
1-benzylindol-5-amine
Synonyms
1-benzyl-1H-indol-5-ylamine
1-benzyl-1H-indol-5-amine
CAS Number
26807-73-8
MDL Number
MFCD03070173
PubChem SID
162086853
PubChem CID
2794624

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2794624 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1843977  LogD (pH = 7.4) 3.1911442 
Log P 3.191231  Molar Refractivity 71.3542 cm3
Polarizability 28.152277 Å3 Polar Surface Area 30.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle