N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine

C16H21NS — CID 43287870

IUPACN-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NC)c1ccc(-c2cccc(C)c2)s1
InChIInChI=1S/C16H21NS/c1-4-6-14(17-3)16-10-9-15(18-16)13-8-5-7-12(2)11-13/h5,7-11,14,17H,4,6H2,1-3H3
InChIKeyWURKQBBOYJIYHB-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.78
Rot. Bonds5

About N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine

N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine (PubChem CID 43287870) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine
PubChem CID43287870
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NC)c1ccc(-c2cccc(C)c2)s1
InChIInChI=1S/C16H21NS/c1-4-6-14(17-3)16-10-9-15(18-16)13-8-5-7-12(2)11-13/h5,7-11,14,17H,4,6H2,1-3H3
InChIKeyWURKQBBOYJIYHB-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-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-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
CID 43287930
1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
CID 43288020
N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine
CID 43288060
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928
N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586232
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43287933
1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43288239
1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43287778
N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine
CID 43287717

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine (CID 43287870) is N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine is CCCC(NC)c1ccc(-c2cccc(C)c2)s1.
What is the InChIKey of N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is WURKQBBOYJIYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-6-14(17-3)16-10-9-15(18-16)13-8-5-7-12(2)11-13/h5,7-11,14,17H,4,6H2,1-3H3.
What are the key properties of N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine?
N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 43287870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).