(6,7-dichloro-1,3-dimethylindol-2-yl)methanamine

C11H12Cl2N2 — CID 83868326

IUPAC(6,7-dichloro-1,3-dimethylindol-2-yl)methanamine
SMILESCc1c(CN)n(C)c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C11H12Cl2N2/c1-6-7-3-4-8(12)10(13)11(7)15(2)9(6)5-14/h3-4H,5,14H2,1-2H3
InChIKeyYJZYKAXUYZCZPZ-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.25
Rot. Bonds1

About (6,7-dichloro-1,3-dimethylindol-2-yl)methanamine

(6,7-dichloro-1,3-dimethylindol-2-yl)methanamine (PubChem CID 83868326) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is (6,7-dichloro-1,3-dimethylindol-2-yl)methanamine.

Molecular Properties

Compound Name(6,7-dichloro-1,3-dimethylindol-2-yl)methanamine
PubChem CID83868326
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name(6,7-dichloro-1,3-dimethylindol-2-yl)methanamine
SMILESCc1c(CN)n(C)c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C11H12Cl2N2/c1-6-7-3-4-8(12)10(13)11(7)15(2)9(6)5-14/h3-4H,5,14H2,1-2H3
InChIKeyYJZYKAXUYZCZPZ-UHFFFAOYSA-N
XLogP3.25
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6,7-dichloro-1,3-dimethylindol-2-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 (6,7-dichloro-1,3-dimethylindol-2-yl)methanamine?
The IUPAC name of (6,7-dichloro-1,3-dimethylindol-2-yl)methanamine (CID 83868326) is (6,7-dichloro-1,3-dimethylindol-2-yl)methanamine.
What is the SMILES notation for (6,7-dichloro-1,3-dimethylindol-2-yl)methanamine?
The canonical SMILES for (6,7-dichloro-1,3-dimethylindol-2-yl)methanamine is Cc1c(CN)n(C)c2c(Cl)c(Cl)ccc12.
What is the InChIKey of (6,7-dichloro-1,3-dimethylindol-2-yl)methanamine?
The InChIKey is YJZYKAXUYZCZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-6-7-3-4-8(12)10(13)11(7)15(2)9(6)5-14/h3-4H,5,14H2,1-2H3.
What are the key properties of (6,7-dichloro-1,3-dimethylindol-2-yl)methanamine?
(6,7-dichloro-1,3-dimethylindol-2-yl)methanamine has a molecular weight of 243.14 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dichloro-1,3-dimethylindol-2-yl)methanamine is sourced from PubChem (CID 83868326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).