2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine

C17H17ClN2 — CID 70181806

IUPAC2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine
SMILESNCCc1c(Cc2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C17H17ClN2/c18-13-7-5-12(6-8-13)11-17-15(9-10-19)14-3-1-2-4-16(14)20-17/h1-8,20H,9-11,19H2
InChIKeyWXHKALDPKSBSAU-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.91
Rot. Bonds4

About 2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine

2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine (PubChem CID 70181806) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine
PubChem CID70181806
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine
SMILESNCCc1c(Cc2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C17H17ClN2/c18-13-7-5-12(6-8-13)11-17-15(9-10-19)14-3-1-2-4-16(14)20-17/h1-8,20H,9-11,19H2
InChIKeyWXHKALDPKSBSAU-UHFFFAOYSA-N
XLogP3.91
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-benzyl-3-ethyl-1H-indole
CID 13115106
(2-benzyl-1H-indol-3-yl)methanol
CID 129187349
3-(2-aminoethyl)-1H-indole-2-thiol
CID 71397889
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
2-benzyl-1H-indol-3-amine
CID 67876324
2-(3-bromo-1H-indol-2-yl)ethanamine
CID 84629371
3-benzyl-2-chloro-1H-indole
CID 12605517
2-(2-aminoethyl)-1H-indol-3-ol
CID 54537889
2,3-bis[(4-chlorophenyl)methyl]-1H-indole-5-sulfonamide
CID 66574340
2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine
CID 12758180
2-[(4-chlorophenyl)methyl]-1H-quinazoline-4-thione
CID 2766814
2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine
CID 2771640

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine (CID 70181806) is 2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine is NCCc1c(Cc2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine?
The InChIKey is WXHKALDPKSBSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c18-13-7-5-12(6-8-13)11-17-15(9-10-19)14-3-1-2-4-16(14)20-17/h1-8,20H,9-11,19H2.
What are the key properties of 2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine?
2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine has a molecular weight of 284.79 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 70181806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).