3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine

C16H17ClN2S — CID 58088510

IUPAC3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNCCC(c1ccsc1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C16H17ClN2S/c1-18-7-5-12(11-6-8-20-10-11)13-9-19-15-4-2-3-14(17)16(13)15/h2-4,6,8-10,12,18-19H,5,7H2,1H3
InChIKeyPBWJNRZRNVCPIW-UHFFFAOYSA-N
MW304.85 g/mol
LogP4.62
Rot. Bonds5

About 3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine

3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 58088510) has the molecular formula C16H17ClN2S and a molecular weight of 304.85 g/mol. Its IUPAC name is 3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
PubChem CID58088510
Molecular FormulaC16H17ClN2S
Molecular Weight304.85 g/mol
Exact Mass304.08
IUPAC Name3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
SMILESCNCCC(c1ccsc1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C16H17ClN2S/c1-18-7-5-12(11-6-8-20-10-11)13-9-19-15-4-2-3-14(17)16(13)15/h2-4,6,8-10,12,18-19H,5,7H2,1H3
InChIKeyPBWJNRZRNVCPIW-UHFFFAOYSA-N
XLogP4.62
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088531
3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 58088517
4-chloro-3-propan-2-yl-1H-indole
CID 129292866
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 46178745
(1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine
CID 82758826
3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine
CID 58088528
3-(4-chloro-1H-indol-3-yl)-N,3-dimethylbutan-1-amine
CID 155050608
4-(4-chloro-1H-indol-3-yl)pentanoic acid
CID 115420859
4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
CID 58088594
2-(4-chloro-1H-indol-3-yl)butanedioic acid
CID 23513553
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
(1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol
CID 72707576

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine (CID 58088510) is 3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine is CNCCC(c1ccsc1)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of 3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is PBWJNRZRNVCPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2S/c1-18-7-5-12(11-6-8-20-10-11)13-9-19-15-4-2-3-14(17)16(13)15/h2-4,6,8-10,12,18-19H,5,7H2,1H3.
What are the key properties of 3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine?
3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 304.85 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 58088510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).