3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine

C12H14ClNS — CID 83912557

IUPAC3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine
SMILESCc1sc2ccc(Cl)cc2c1CCCN
InChIInChI=1S/C12H14ClNS/c1-8-10(3-2-6-14)11-7-9(13)4-5-12(11)15-8/h4-5,7H,2-3,6,14H2,1H3
InChIKeyYVDHUSGYWHSGFX-UHFFFAOYSA-N
MW239.77 g/mol
LogP3.75
Rot. Bonds3

About 3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine

3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine (PubChem CID 83912557) has the molecular formula C12H14ClNS and a molecular weight of 239.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine
PubChem CID83912557
Molecular FormulaC12H14ClNS
Molecular Weight239.77 g/mol
Exact Mass239.05
IUPAC Name3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine
SMILESCc1sc2ccc(Cl)cc2c1CCCN
InChIInChI=1S/C12H14ClNS/c1-8-10(3-2-6-14)11-7-9(13)4-5-12(11)15-8/h4-5,7H,2-3,6,14H2,1H3
InChIKeyYVDHUSGYWHSGFX-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine
CID 170868060
3,5-dichloro-2-methyl-1-benzothiophene
CID 59511137
2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine
CID 83909343
5-chloro-2-methyl-1-benzothiophen-3-ol
CID 90918117
3-(2-bromo-5-chloro-1-benzothiophen-3-yl)-N,N-dimethylpropan-1-amine
CID 170866860
6-chloro-2,3-dimethylthiochromen-4-one
CID 86172878
5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
CID 150846661
5-chloro-2-methyl-3-(4-methylphenyl)-1-benzothiophene
CID 4672420
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
CID 119986735
6-chloro-2-methylthiochromen-4-one
CID 2810162
3,6-dichloro-2-methyl-1-benzothiophene;ethane
CID 144669158
5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
CID 58861002

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine?
The IUPAC name of 3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine (CID 83912557) is 3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine is Cc1sc2ccc(Cl)cc2c1CCCN.
What is the InChIKey of 3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine?
The InChIKey is YVDHUSGYWHSGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNS/c1-8-10(3-2-6-14)11-7-9(13)4-5-12(11)15-8/h4-5,7H,2-3,6,14H2,1H3.
What are the key properties of 3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine?
3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine has a molecular weight of 239.77 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine is sourced from PubChem (CID 83912557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).