3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine

C13H17ClN2O — CID 82499498

IUPAC3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine
SMILESCOc1cc2cc(C)n(CCCN)c2cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9-6-10-7-13(17-2)11(14)8-12(10)16(9)5-3-4-15/h6-8H,3-5,15H2,1-2H3
InChIKeyPQOWDVWKXQMKJJ-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.96
Rot. Bonds4

About 3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine

3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine (PubChem CID 82499498) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine
PubChem CID82499498
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine
SMILESCOc1cc2cc(C)n(CCCN)c2cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9-6-10-7-13(17-2)11(14)8-12(10)16(9)5-3-4-15/h6-8H,3-5,15H2,1-2H3
InChIKeyPQOWDVWKXQMKJJ-UHFFFAOYSA-N
XLogP2.96
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-5-methoxy-2,3-dimethylindol-1-yl)propan-1-amine
CID 82501761
3-(6-chloro-2-methylindol-1-yl)propan-1-amine
CID 82494548
6-chloro-1-[(5-chloro-2-pyridinyl)methyl]-5-methoxy-2-methylindole
CID 141347661
3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
CID 83948348
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
3-(6-chloro-5-methoxyindol-1-yl)propan-1-ol
CID 83944491
(6-chloro-5-methoxy-2-methylindol-1-yl)-(4-methylphenyl)methanethione
CID 90997343
2-(6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84634763
3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine
CID 94748494
2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid
CID 84642929
N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine
CID 84640295
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine?
The IUPAC name of 3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine (CID 82499498) is 3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine?
The canonical SMILES for 3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine is COc1cc2cc(C)n(CCCN)c2cc1Cl.
What is the InChIKey of 3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine?
The InChIKey is PQOWDVWKXQMKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-6-10-7-13(17-2)11(14)8-12(10)16(9)5-3-4-15/h6-8H,3-5,15H2,1-2H3.
What are the key properties of 3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine?
3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine has a molecular weight of 252.74 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine is sourced from PubChem (CID 82499498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).