1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine

C12H15ClN2O — CID 84629248

IUPAC1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine
SMILESCOc1cc2c(C)c(C(C)N)[nH]c2cc1Cl
InChIInChI=1S/C12H15ClN2O/c1-6-8-4-11(16-3)9(13)5-10(8)15-12(6)7(2)14/h4-5,7,15H,14H2,1-3H3
InChIKeyHBELOKZKBQLVJN-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.16
Rot. Bonds2

About 1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine

1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine (PubChem CID 84629248) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine
PubChem CID84629248
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine
SMILESCOc1cc2c(C)c(C(C)N)[nH]c2cc1Cl
InChIInChI=1S/C12H15ClN2O/c1-6-8-4-11(16-3)9(13)5-10(8)15-12(6)7(2)14/h4-5,7,15H,14H2,1-3H3
InChIKeyHBELOKZKBQLVJN-UHFFFAOYSA-N
XLogP3.16
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)methyl]propan-2-amine
CID 84640296
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693142
3-chloro-2-methoxy-6-methyl-9H-carbazole
CID 155477341
2-(6-chloro-5-methoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82496487
1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine
CID 84641080
6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 107622842
2-(6-chloro-5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82501743
5-methoxy-2,3,6-trimethyl-1H-indole
CID 70181288
3-(6-chloro-5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid
CID 82501837
3-(2-aminoethyl)-6-chloro-5-methoxy-1H-indole-2-carboxylic acid
CID 84743045
7-chloro-6-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine
CID 84639757
1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine
CID 84634871

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine?
The IUPAC name of 1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine (CID 84629248) is 1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine?
The canonical SMILES for 1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine is COc1cc2c(C)c(C(C)N)[nH]c2cc1Cl.
What is the InChIKey of 1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine?
The InChIKey is HBELOKZKBQLVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-6-8-4-11(16-3)9(13)5-10(8)15-12(6)7(2)14/h4-5,7,15H,14H2,1-3H3.
What are the key properties of 1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine?
1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine has a molecular weight of 238.72 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 84629248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).