2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine

C12H15ClN2 — CID 135333293

IUPAC2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine
SMILESCc1cc(Cl)cc2c1cc(C)n2CCN
InChIInChI=1S/C12H15ClN2/c1-8-5-10(13)7-12-11(8)6-9(2)15(12)4-3-14/h5-7H,3-4,14H2,1-2H3
InChIKeyINRFYHHDUHJVFW-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.87
Rot. Bonds2

About 2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine

2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine (PubChem CID 135333293) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine
PubChem CID135333293
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine
SMILESCc1cc(Cl)cc2c1cc(C)n2CCN
InChIInChI=1S/C12H15ClN2/c1-8-5-10(13)7-12-11(8)6-9(2)15(12)4-3-14/h5-7H,3-4,14H2,1-2H3
InChIKeyINRFYHHDUHJVFW-UHFFFAOYSA-N
XLogP2.87
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine 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

CID 9921064
CID 9921064
CID 10131112
CID 10131112
CID 3045227
CID 3045227
CID 9855823
CID 9855823
CID 14595512
CID 14595512
CID 21868720
CID 21868720
CID 5745501
CID 5745501
CID 1381961
CID 1381961
CID 44287208
CID 44287208
CID 15619875
CID 15619875
CID 20726100
CID 20726100
CID 21512050
CID 21512050

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine?
The IUPAC name of 2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine (CID 135333293) is 2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine.
What is the SMILES notation for 2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine?
The canonical SMILES for 2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine is Cc1cc(Cl)cc2c1cc(C)n2CCN.
What is the InChIKey of 2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine?
The InChIKey is INRFYHHDUHJVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8-5-10(13)7-12-11(8)6-9(2)15(12)4-3-14/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine?
2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine has a molecular weight of 222.72 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine is sourced from PubChem (CID 135333293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).