1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine

C13H17ClN2O — CID 82499491

IUPAC1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
SMILESCOc1ccc(Cl)c2[nH]c(C)c(CC(C)N)c12
InChIInChI=1S/C13H17ClN2O/c1-7(15)6-9-8(2)16-13-10(14)4-5-11(17-3)12(9)13/h4-5,7,16H,6,15H2,1-3H3
InChIKeyRIAZMUPXFORAOT-UHFFFAOYSA-N
MW252.75 g/mol
LogP3.03
Rot. Bonds3

About 1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine

1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine (PubChem CID 82499491) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
PubChem CID82499491
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
SMILESCOc1ccc(Cl)c2[nH]c(C)c(CC(C)N)c12
InChIInChI=1S/C13H17ClN2O/c1-7(15)6-9-8(2)16-13-10(14)4-5-11(17-3)12(9)13/h4-5,7,16H,6,15H2,1-3H3
InChIKeyRIAZMUPXFORAOT-UHFFFAOYSA-N
XLogP3.03
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649
3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine
CID 96678727
7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile
CID 82494210
1-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)-N-methylmethanamine
CID 82496369
2-(4-methoxy-2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 105472778
1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine
CID 63815045
1-(6-methoxy-2,3-dimethylphenyl)propan-2-amine
CID 117284120
1-(4,7-dichloro-2-methyl-1H-indol-3-yl)ethanamine
CID 83868295
(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-bis(2-methylpropyl)azanium
CID 4531560
2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82495069
1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82495879
1-(3-chloro-2,5,6-trimethoxyphenyl)propan-2-amine
CID 117403670

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine?
The IUPAC name of 1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine (CID 82499491) is 1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for 1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine is COc1ccc(Cl)c2[nH]c(C)c(CC(C)N)c12.
What is the InChIKey of 1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine?
The InChIKey is RIAZMUPXFORAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-7(15)6-9-8(2)16-13-10(14)4-5-11(17-3)12(9)13/h4-5,7,16H,6,15H2,1-3H3.
What are the key properties of 1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine?
1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine has a molecular weight of 252.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 82499491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).