2-benzyl-1H-indol-3-amine

C15H14N2 — CID 67876324

IUPAC2-benzyl-1H-indol-3-amine
SMILESNc1c(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C15H14N2/c16-15-12-8-4-5-9-13(12)17-14(15)10-11-6-2-1-3-7-11/h1-9,17H,10,16H2
InChIKeyZTNJXVQMNJWDRE-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.34
Rot. Bonds2

About 2-benzyl-1H-indol-3-amine

2-benzyl-1H-indol-3-amine (PubChem CID 67876324) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-benzyl-1H-indol-3-amine.

Molecular Properties

Compound Name2-benzyl-1H-indol-3-amine
PubChem CID67876324
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-benzyl-1H-indol-3-amine
SMILESNc1c(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C15H14N2/c16-15-12-8-4-5-9-13(12)17-14(15)10-11-6-2-1-3-7-11/h1-9,17H,10,16H2
InChIKeyZTNJXVQMNJWDRE-UHFFFAOYSA-N
XLogP3.34
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-ethyl-1H-indole
CID 13115106
(2-benzyl-1H-indol-3-yl)methanol
CID 129187349
(3-amino-1H-indol-2-yl)methanol
CID 133058888
2-benzyl-3-ethyl-1H-quinolin-4-one
CID 131850781
4-benzyl-1H-indol-2-amine
CID 174370998
3-benzyl-2-chloro-1H-indole
CID 12605517
2-benzyl-3-butyl-1H-quinolin-4-one
CID 131850780
2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine
CID 70181806
N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide
CID 67842609
ethyl 2-amino-3-(2-benzyl-1H-indol-3-yl)propanoate
CID 134906934
2-(benzylamino)-2-(2-benzyl-1H-indol-3-yl)acetic acid
CID 57263859
3-benzyl-1H-indole-2-carboxamide
CID 70180298

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1H-indol-3-amine?
The IUPAC name of 2-benzyl-1H-indol-3-amine (CID 67876324) is 2-benzyl-1H-indol-3-amine.
What is the SMILES notation for 2-benzyl-1H-indol-3-amine?
The canonical SMILES for 2-benzyl-1H-indol-3-amine is Nc1c(Cc2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-benzyl-1H-indol-3-amine?
The InChIKey is ZTNJXVQMNJWDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c16-15-12-8-4-5-9-13(12)17-14(15)10-11-6-2-1-3-7-11/h1-9,17H,10,16H2.
What are the key properties of 2-benzyl-1H-indol-3-amine?
2-benzyl-1H-indol-3-amine has a molecular weight of 222.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1H-indol-3-amine is sourced from PubChem (CID 67876324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).