1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine

C12H14ClNS — CID 83912556

IUPAC1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine
SMILESCc1sc2c(Cl)cccc2c1CC(C)N
InChIInChI=1S/C12H14ClNS/c1-7(14)6-10-8(2)15-12-9(10)4-3-5-11(12)13/h3-5,7H,6,14H2,1-2H3
InChIKeyRLCRURZQVKKACW-UHFFFAOYSA-N
MW239.77 g/mol
LogP3.75
Rot. Bonds2

About 1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine

1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine (PubChem CID 83912556) has the molecular formula C12H14ClNS and a molecular weight of 239.77 g/mol. Its IUPAC name is 1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine
PubChem CID83912556
Molecular FormulaC12H14ClNS
Molecular Weight239.77 g/mol
Exact Mass239.05
IUPAC Name1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine
SMILESCc1sc2c(Cl)cccc2c1CC(C)N
InChIInChI=1S/C12H14ClNS/c1-7(14)6-10-8(2)15-12-9(10)4-3-5-11(12)13/h3-5,7H,6,14H2,1-2H3
InChIKeyRLCRURZQVKKACW-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

2-(7-chloro-3-pentyl-1-benzothiophen-2-yl)propan-1-amine
CID 142603243
3-(chloromethyl)-2-methyl-1-benzothiophene-7-thiol
CID 130970964
(2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride
CID 175702028
1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine
CID 63818585
1-(2-butan-2-ylsulfanyl-6-chlorophenyl)propan-2-amine
CID 63835456
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-(3-chloro-2-ethylphenyl)ethanamine
CID 55282623
1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 63803488
1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine
CID 55238553
1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine
CID 63819430
4-bromo-6-chlorodibenzothiophene
CID 54757064

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine?
The IUPAC name of 1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine (CID 83912556) is 1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine.
What is the SMILES notation for 1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine?
The canonical SMILES for 1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine is Cc1sc2c(Cl)cccc2c1CC(C)N.
What is the InChIKey of 1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine?
The InChIKey is RLCRURZQVKKACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNS/c1-7(14)6-10-8(2)15-12-9(10)4-3-5-11(12)13/h3-5,7H,6,14H2,1-2H3.
What are the key properties of 1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine?
1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine has a molecular weight of 239.77 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-methyl-1-benzothiophen-3-yl)propan-2-amine is sourced from PubChem (CID 83912556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).