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

C9H9ClN2 — CID 76846760

IUPAC(7-chloro-1H-indol-4-yl)methanamine
SMILESNCc1ccc(Cl)c2[nH]ccc12
InChIInChI=1S/C9H9ClN2/c10-8-2-1-6(5-11)7-3-4-12-9(7)8/h1-4,12H,5,11H2
InChIKeyCJJROLXHSVBIAW-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.28
Rot. Bonds1

About (7-chloro-1H-indol-4-yl)methanamine

(7-chloro-1H-indol-4-yl)methanamine (PubChem CID 76846760) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is (7-chloro-1H-indol-4-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-1H-indol-4-yl)methanamine
PubChem CID76846760
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name(7-chloro-1H-indol-4-yl)methanamine
SMILESNCc1ccc(Cl)c2[nH]ccc12
InChIInChI=1S/C9H9ClN2/c10-8-2-1-6(5-11)7-3-4-12-9(7)8/h1-4,12H,5,11H2
InChIKeyCJJROLXHSVBIAW-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 (7-chloro-1H-indol-4-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

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1H-indol-4-yl)methanamine?
The IUPAC name of (7-chloro-1H-indol-4-yl)methanamine (CID 76846760) is (7-chloro-1H-indol-4-yl)methanamine.
What is the SMILES notation for (7-chloro-1H-indol-4-yl)methanamine?
The canonical SMILES for (7-chloro-1H-indol-4-yl)methanamine is NCc1ccc(Cl)c2[nH]ccc12.
What is the InChIKey of (7-chloro-1H-indol-4-yl)methanamine?
The InChIKey is CJJROLXHSVBIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c10-8-2-1-6(5-11)7-3-4-12-9(7)8/h1-4,12H,5,11H2.
What are the key properties of (7-chloro-1H-indol-4-yl)methanamine?
(7-chloro-1H-indol-4-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 (7-chloro-1H-indol-4-yl)methanamine is sourced from PubChem (CID 76846760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).