4-benzyl-1H-indol-2-amine

C15H14N2 — CID 174370998

IUPAC4-benzyl-1H-indol-2-amine
SMILESNc1cc2c(Cc3ccccc3)cccc2[nH]1
InChIInChI=1S/C15H14N2/c16-15-10-13-12(7-4-8-14(13)17-15)9-11-5-2-1-3-6-11/h1-8,10,17H,9,16H2
InChIKeyVNAPEGBPCGYQAS-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.34
Rot. Bonds2

About 4-benzyl-1H-indol-2-amine

4-benzyl-1H-indol-2-amine (PubChem CID 174370998) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-benzyl-1H-indol-2-amine.

Molecular Properties

Compound Name4-benzyl-1H-indol-2-amine
PubChem CID174370998
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-benzyl-1H-indol-2-amine
SMILESNc1cc2c(Cc3ccccc3)cccc2[nH]1
InChIInChI=1S/C15H14N2/c16-15-10-13-12(7-4-8-14(13)17-15)9-11-5-2-1-3-6-11/h1-8,10,17H,9,16H2
InChIKeyVNAPEGBPCGYQAS-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

Analyze 4-benzyl-1H-indol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1H-indol-2-amine?
The IUPAC name of 4-benzyl-1H-indol-2-amine (CID 174370998) is 4-benzyl-1H-indol-2-amine.
What is the SMILES notation for 4-benzyl-1H-indol-2-amine?
The canonical SMILES for 4-benzyl-1H-indol-2-amine is Nc1cc2c(Cc3ccccc3)cccc2[nH]1.
What is the InChIKey of 4-benzyl-1H-indol-2-amine?
The InChIKey is VNAPEGBPCGYQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c16-15-10-13-12(7-4-8-14(13)17-15)9-11-5-2-1-3-6-11/h1-8,10,17H,9,16H2.
What are the key properties of 4-benzyl-1H-indol-2-amine?
4-benzyl-1H-indol-2-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 4-benzyl-1H-indol-2-amine is sourced from PubChem (CID 174370998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).