6-chloro-2,3-dihydro-1H-indol-5-amine

C8H9ClN2 — CID 82413004

IUPAC6-chloro-2,3-dihydro-1H-indol-5-amine
SMILESNc1cc2c(cc1Cl)NCC2
InChIInChI=1S/C8H9ClN2/c9-6-4-8-5(1-2-11-8)3-7(6)10/h3-4,11H,1-2,10H2
InChIKeyNSYCECRZDFYDAV-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.89
Rot. Bonds

About 6-chloro-2,3-dihydro-1H-indol-5-amine

6-chloro-2,3-dihydro-1H-indol-5-amine (PubChem CID 82413004) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 6-chloro-2,3-dihydro-1H-indol-5-amine.

Molecular Properties

Compound Name6-chloro-2,3-dihydro-1H-indol-5-amine
PubChem CID82413004
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name6-chloro-2,3-dihydro-1H-indol-5-amine
SMILESNc1cc2c(cc1Cl)NCC2
InChIInChI=1S/C8H9ClN2/c9-6-4-8-5(1-2-11-8)3-7(6)10/h3-4,11H,1-2,10H2
InChIKeyNSYCECRZDFYDAV-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-chloro-2,3-dihydro-1H-indol-5-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 6-chloro-2,3-dihydro-1H-indol-5-amine?
The IUPAC name of 6-chloro-2,3-dihydro-1H-indol-5-amine (CID 82413004) is 6-chloro-2,3-dihydro-1H-indol-5-amine.
What is the SMILES notation for 6-chloro-2,3-dihydro-1H-indol-5-amine?
The canonical SMILES for 6-chloro-2,3-dihydro-1H-indol-5-amine is Nc1cc2c(cc1Cl)NCC2.
What is the InChIKey of 6-chloro-2,3-dihydro-1H-indol-5-amine?
The InChIKey is NSYCECRZDFYDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c9-6-4-8-5(1-2-11-8)3-7(6)10/h3-4,11H,1-2,10H2.
What are the key properties of 6-chloro-2,3-dihydro-1H-indol-5-amine?
6-chloro-2,3-dihydro-1H-indol-5-amine has a molecular weight of 168.63 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dihydro-1H-indol-5-amine is sourced from PubChem (CID 82413004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).