(4-chloro-1H-indol-5-yl)methanamine

C9H9ClN2 — CID 82408682

IUPAC(4-chloro-1H-indol-5-yl)methanamine
SMILESNCc1ccc2[nH]ccc2c1Cl
InChIInChI=1S/C9H9ClN2/c10-9-6(5-11)1-2-8-7(9)3-4-12-8/h1-4,12H,5,11H2
InChIKeyTUSYVPKSPWLENH-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.28
Rot. Bonds1

About (4-chloro-1H-indol-5-yl)methanamine

(4-chloro-1H-indol-5-yl)methanamine (PubChem CID 82408682) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is (4-chloro-1H-indol-5-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1H-indol-5-yl)methanamine
PubChem CID82408682
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name(4-chloro-1H-indol-5-yl)methanamine
SMILESNCc1ccc2[nH]ccc2c1Cl
InChIInChI=1S/C9H9ClN2/c10-9-6(5-11)1-2-8-7(9)3-4-12-8/h1-4,12H,5,11H2
InChIKeyTUSYVPKSPWLENH-UHFFFAOYSA-N
XLogP2.28
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (4-chloro-1H-indol-5-yl)methanamine 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

ethane;1H-indol-4-ylmethanamine
CID 144540106
4-(4-chloro-1H-indol-5-yl)butanoic acid
CID 117348042
(7-chloro-1H-indol-4-yl)methanamine
CID 76846760
(1-chloronaphthalen-2-yl)methanamine
CID 22286820
5-tert-butyl-4-chloro-1H-indole
CID 10536327
tert-butyl-[(4-chloro-1H-indol-5-yl)oxy]-dimethylsilane
CID 165353082
(4-chloro-1-benzofuran-5-yl)methanamine
CID 83817094
2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
CID 167760392
O-(1H-indol-4-ylmethyl)hydroxylamine
CID 117276139
4-(iodomethyl)-1H-indole
CID 143791617
5-[(1-aminocyclopropyl)methyl]-1H-indol-4-ol
CID 117290934
1-(4-fluoro-1H-indol-5-yl)propan-2-amine
CID 117283015

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-indol-5-yl)methanamine?
The IUPAC name of (4-chloro-1H-indol-5-yl)methanamine (CID 82408682) is (4-chloro-1H-indol-5-yl)methanamine.
What is the SMILES notation for (4-chloro-1H-indol-5-yl)methanamine?
The canonical SMILES for (4-chloro-1H-indol-5-yl)methanamine is NCc1ccc2[nH]ccc2c1Cl.
What is the InChIKey of (4-chloro-1H-indol-5-yl)methanamine?
The InChIKey is TUSYVPKSPWLENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c10-9-6(5-11)1-2-8-7(9)3-4-12-8/h1-4,12H,5,11H2.
What are the key properties of (4-chloro-1H-indol-5-yl)methanamine?
(4-chloro-1H-indol-5-yl)methanamine has a molecular weight of 180.64 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-indol-5-yl)methanamine is sourced from PubChem (CID 82408682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).