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

C15H23NS — CID 105130052

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)C1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-3-4-5-9-13(16-2)15-11-12-8-6-7-10-14(12)17-15/h6-8,10,13,15-16H,3-5,9,11H2,1-2H3
InChIKeyDMCACJLKTSPKML-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.87
Rot. Bonds6

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

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine (PubChem CID 105130052) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine
PubChem CID105130052
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)C1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-3-4-5-9-13(16-2)15-11-12-8-6-7-10-14(12)17-15/h6-8,10,13,15-16H,3-5,9,11H2,1-2H3
InChIKeyDMCACJLKTSPKML-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
1-(2,3-dihydro-1-benzothiophen-2-yl)undecan-1-ol
CID 105089949
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-ethylpropan-1-amine
CID 105078795
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methyl-N-propylpentan-1-amine
CID 105126777
[1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105328932
[1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105298148
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine
CID 64984494
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine (CID 105130052) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine is CCCCCC(NC)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine?
The InChIKey is DMCACJLKTSPKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-4-5-9-13(16-2)15-11-12-8-6-7-10-14(12)17-15/h6-8,10,13,15-16H,3-5,9,11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.87, 6 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-methylhexan-1-amine is sourced from PubChem (CID 105130052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).