N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine

C14H19NS — CID 62694134

IUPACN-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
SMILESCCC(C)CNCc1csc2ccccc12
InChIInChI=1S/C14H19NS/c1-3-11(2)8-15-9-12-10-16-14-7-5-4-6-13(12)14/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyLQWRGDGLCZPSOH-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.04
Rot. Bonds5

About N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine

N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine (PubChem CID 62694134) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
PubChem CID62694134
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
SMILESCCC(C)CNCc1csc2ccccc12
InChIInChI=1S/C14H19NS/c1-3-11(2)8-15-9-12-10-16-14-7-5-4-6-13(12)14/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyLQWRGDGLCZPSOH-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-benzothiophen-3-ylmethyl)-2-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

(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
N-(1-benzothiophen-3-ylmethyl)-2,2-diethoxyethanamine
CID 66977939
3-(1-benzothiophen-3-ylmethylamino)-2-methylpropanenitrile
CID 62699047
1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol
CID 103631658
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
3-(1-benzothiophen-3-ylmethylamino)-2-(methylamino)propanoic acid
CID 115256146
2-(1-benzothiophen-3-ylmethylamino)acetonitrile
CID 115131048
N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533
2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide
CID 60704968
3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
CID 63739036
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944902

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine (CID 62694134) is N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine is CCC(C)CNCc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine?
The InChIKey is LQWRGDGLCZPSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-11(2)8-15-9-12-10-16-14-7-5-4-6-13(12)14/h4-7,10-11,15H,3,8-9H2,1-2H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine?
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine is sourced from PubChem (CID 62694134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).