1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine

C12H17NS — CID 105079050

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)C1Cc2ccccc2S1
InChIInChI=1S/C12H17NS/c1-3-10(13-2)12-8-9-6-4-5-7-11(9)14-12/h4-7,10,12-13H,3,8H2,1-2H3
InChIKeyJJWIPZJRNFMNTC-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.70
Rot. Bonds3

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine (PubChem CID 105079050) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
PubChem CID105079050
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)C1Cc2ccccc2S1
InChIInChI=1S/C12H17NS/c1-3-10(13-2)12-8-9-6-4-5-7-11(9)14-12/h4-7,10,12-13H,3,8H2,1-2H3
InChIKeyJJWIPZJRNFMNTC-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
CID 105078795
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine
CID 105130052
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 105101921
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpent-3-yn-1-amine
CID 105112708
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 105090430
1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine
CID 105168564
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 103053312
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114270
1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105138314
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105167273
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine
CID 105165121
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105170454

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine (CID 105079050) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine is CCC(NC)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine?
The InChIKey is JJWIPZJRNFMNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-3-10(13-2)12-8-9-6-4-5-7-11(9)14-12/h4-7,10,12-13H,3,8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 105079050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).