1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine

C12H14ClNS — CID 117196819

IUPAC1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cc2cccc(Cl)c2s1
InChIInChI=1S/C12H14ClNS/c1-8(14-2)6-10-7-9-4-3-5-11(13)12(9)15-10/h3-5,7-8,14H,6H2,1-2H3
InChIKeyHRBXVROFLXNHQM-UHFFFAOYSA-N
MW239.77 g/mol
LogP3.71
Rot. Bonds3

About 1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine

1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine (PubChem CID 117196819) has the molecular formula C12H14ClNS and a molecular weight of 239.77 g/mol. Its IUPAC name is 1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine
PubChem CID117196819
Molecular FormulaC12H14ClNS
Molecular Weight239.77 g/mol
Exact Mass239.05
IUPAC Name1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cc2cccc(Cl)c2s1
InChIInChI=1S/C12H14ClNS/c1-8(14-2)6-10-7-9-4-3-5-11(13)12(9)15-10/h3-5,7-8,14H,6H2,1-2H3
InChIKeyHRBXVROFLXNHQM-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine
CID 117194308
N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine
CID 117205172
2-chloro-6-[2-(methylamino)propyl]phenol
CID 84733707
3-(7-chloro-1-benzothiophen-2-yl)-2,2-dimethylpropanoic acid
CID 117196829
1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine
CID 105497206
1-(1-benzothiophen-2-yl)propan-2-ylhydrazine
CID 119083055
1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine
CID 105482606
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
2-[2-(methylamino)propyl]-1H-indol-7-ol
CID 117197123
1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085456
1-(7-chloro-1-benzofuran-2-yl)propan-2-amine
CID 114735430

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine (CID 117196819) is 1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine is CNC(C)Cc1cc2cccc(Cl)c2s1.
What is the InChIKey of 1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine?
The InChIKey is HRBXVROFLXNHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNS/c1-8(14-2)6-10-7-9-4-3-5-11(13)12(9)15-10/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine?
1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine has a molecular weight of 239.77 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117196819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).