3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine

C12H15ClN2 — CID 3925639

IUPAC3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine
SMILESCc1c(Cl)ccc2c(CCCN)c[nH]c12
InChIInChI=1S/C12H15ClN2/c1-8-11(13)5-4-10-9(3-2-6-14)7-15-12(8)10/h4-5,7,15H,2-3,6,14H2,1H3
InChIKeyNCPCUOAPYTXBCH-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.02
Rot. Bonds3

About 3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine

3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine (PubChem CID 3925639) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine
PubChem CID3925639
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine
SMILESCc1c(Cl)ccc2c(CCCN)c[nH]c12
InChIInChI=1S/C12H15ClN2/c1-8-11(13)5-4-10-9(3-2-6-14)7-15-12(8)10/h4-5,7,15H,2-3,6,14H2,1H3
InChIKeyNCPCUOAPYTXBCH-UHFFFAOYSA-N
XLogP3.02
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-chloro-7-methyl-1H-indol-3-yl)acetonitrile
CID 82491993
[1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine
CID 82496496
3-(7-ethoxy-1H-indol-3-yl)propan-1-amine
CID 82374015
3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 83948634
3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine
CID 84776584
3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
CID 5135495
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
5-(7-methoxy-1H-indol-3-yl)pentan-1-amine
CID 96598611
4-(3-chloro-2-methylphenyl)butan-1-amine
CID 82282104
4-[6-chloro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 5165758
4-[6-chloro-7-methyl-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5214084

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine (CID 3925639) is 3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine is Cc1c(Cl)ccc2c(CCCN)c[nH]c12.
What is the InChIKey of 3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine?
The InChIKey is NCPCUOAPYTXBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8-11(13)5-4-10-9(3-2-6-14)7-15-12(8)10/h4-5,7,15H,2-3,6,14H2,1H3.
What are the key properties of 3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine?
3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine has a molecular weight of 222.72 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 3925639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).