1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine

C13H17NS — CID 115782410

IUPAC1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cc2ccccc2s1
InChIInChI=1S/C13H17NS/c1-9(2)7-11(14)13-8-10-5-3-4-6-12(10)15-13/h3-6,8-9,11H,7,14H2,1-2H3
InChIKeyHFOCUKJJXHVJSS-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.95
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine

1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine (PubChem CID 115782410) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
PubChem CID115782410
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cc2ccccc2s1
InChIInChI=1S/C13H17NS/c1-9(2)7-11(14)13-8-10-5-3-4-6-12(10)15-13/h3-6,8-9,11H,7,14H2,1-2H3
InChIKeyHFOCUKJJXHVJSS-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
4-amino-4-(1-benzothiophen-2-yl)-2-methylbutane-1-sulfinic acid
CID 57164748
1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844225
2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine
CID 114911206
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447688
1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 114193144
1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030509
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine (CID 115782410) is 1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine is CC(C)CC(N)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine?
The InChIKey is HFOCUKJJXHVJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-9(2)7-11(14)13-8-10-5-3-4-6-12(10)15-13/h3-6,8-9,11H,7,14H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine?
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 115782410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).