1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine

C12H15ClN2 — CID 83890988

IUPAC1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine
SMILESCNCc1cc(Cl)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C12H15ClN2/c1-7-8(2)15-12-10(7)4-9(6-14-3)5-11(12)13/h4-5,14-15H,6H2,1-3H3
InChIKeyWJDKWXMRMJHZAQ-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.16
Rot. Bonds2

About 1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine

1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine (PubChem CID 83890988) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine
PubChem CID83890988
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine
SMILESCNCc1cc(Cl)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C12H15ClN2/c1-7-8(2)15-12-10(7)4-9(6-14-3)5-11(12)13/h4-5,14-15H,6H2,1-3H3
InChIKeyWJDKWXMRMJHZAQ-UHFFFAOYSA-N
XLogP3.16
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine 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 1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine (CID 83890988) is 1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine is CNCc1cc(Cl)c2[nH]c(C)c(C)c2c1.
What is the InChIKey of 1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine?
The InChIKey is WJDKWXMRMJHZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-7-8(2)15-12-10(7)4-9(6-14-3)5-11(12)13/h4-5,14-15H,6H2,1-3H3.
What are the key properties of 1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine?
1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine has a molecular weight of 222.72 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2,3-dimethyl-1H-indol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 83890988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).