1-Benzylindole

C15H13NCAS 3377-71-7207.28 g/mol

Open in Covalent MOL file
N

Properties

Molecular formula
C15H13N
Molar mass
207.28 g/mol
Exact mass
207.1048 Da
logP
3.69Crippen estimate
Polar surface area
4.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3377-71-7
SMILES
C1=CC=C(C=C1)CN2C=CC3=CC=CC=C32
InChIKey
NJZQOCCEDXRQJM-UHFFFAOYSA-N
InChI
InChI=1S/C15H13N/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)16/h1-11H,12H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1H-Indole, 1-(phenylmethyl)-
  • 1-Benzyl-1H-indole
  • N-Benzylindole
  • 1-Benzyl-1H-indole-5-D
  • n-Benzyl indole
  • N-Benzyl-indole
  • (Phenylmethyl)-1H-indole
  • Cambridge id 5106611

Reactions

Work with 1-Benzylindole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1H-Indole-1-acetic acid24297-59-447 % similar N-Benzylpyrrole2051-97-045 % similar 1-Methylindole603-76-942 % similar 1-Benzyl-2-methylimidazole13750-62-442 % similar 1-Benzyl-1H-indole-3-carbaldehyde10511-51-041 % similar (1-Benzyl-1H-imidazol-2-yl)methanol5376-10-339 % similar 1-Methoxyindole54698-11-238 % similar 1-(Phenylmethyl)-1H-indole-3-carboxylic acid27018-76-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Benzylphenylacetonitrile101096-72-4 β-Phenylbenzenepropanenitrile2286-54-6 1-Methyl-2-phenylindole3558-24-5 1-Phenyl-3,4-dihydroisoquinoline52250-50-7 α-Methyl-α-phenylbenzeneacetonitrile5558-67-8 4-Ethyl-4′-cyanobiphenyl58743-75-2

Elsewhere

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