4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine

C13H19NS — CID 117317136

IUPAC4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine
SMILESCC1Cc2cccc(CCCCN)c2S1
InChIInChI=1S/C13H19NS/c1-10-9-12-7-4-6-11(13(12)15-10)5-2-3-8-14/h4,6-7,10H,2-3,5,8-9,14H2,1H3
InChIKeyUVSOEAPSALGDPY-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.00
Rot. Bonds4

About 4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine

4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine (PubChem CID 117317136) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine
PubChem CID117317136
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine
SMILESCC1Cc2cccc(CCCCN)c2S1
InChIInChI=1S/C13H19NS/c1-10-9-12-7-4-6-11(13(12)15-10)5-2-3-8-14/h4,6-7,10H,2-3,5,8-9,14H2,1H3
InChIKeyUVSOEAPSALGDPY-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.00
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

N-methyl-3-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)propan-1-amine
CID 117203973
4-(3,4-dihydro-1H-isochromen-5-yl)butan-1-amine
CID 117293860
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
4-(3-chloro-2-methylphenyl)butan-1-amine
CID 82282104
2-(2-methyl-2,3-dihydro-1-benzothiophen-5-yl)ethanamine
CID 82401607
2-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)ethanamine
CID 117204133
2-methyl-2,3-dihydrothieno[2,3-c]pyridin-7-amine
CID 89186747
4-[2-(1,1-difluoroethyl)phenyl]butan-1-amine
CID 117304302
8-naphthalen-1-yloctan-1-amine
CID 100987116
4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine
CID 20737628
[7-(3-aminopropyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 71056794
3-(4-aminobutyl)-2-methoxyphenol
CID 117285526

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine?
The IUPAC name of 4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine (CID 117317136) is 4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine.
What is the SMILES notation for 4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine?
The canonical SMILES for 4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine is CC1Cc2cccc(CCCCN)c2S1.
What is the InChIKey of 4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine?
The InChIKey is UVSOEAPSALGDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10-9-12-7-4-6-11(13(12)15-10)5-2-3-8-14/h4,6-7,10H,2-3,5,8-9,14H2,1H3.
What are the key properties of 4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine?
4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)butan-1-amine is sourced from PubChem (CID 117317136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).