1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine

C17H23NS — CID 43287930

IUPAC1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(-c2cc(C)ccc2C)s1
InChIInChI=1S/C17H23NS/c1-5-6-15(18-4)17-10-9-16(19-17)14-11-12(2)7-8-13(14)3/h7-11,15,18H,5-6H2,1-4H3
InChIKeySUPXTNSDNAEJOF-UHFFFAOYSA-N
MW273.44 g/mol
LogP5.09
Rot. Bonds5

About 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine

1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine (PubChem CID 43287930) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
PubChem CID43287930
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(-c2cc(C)ccc2C)s1
InChIInChI=1S/C17H23NS/c1-5-6-15(18-4)17-10-9-16(19-17)14-11-12(2)7-8-13(14)3/h7-11,15,18H,5-6H2,1-4H3
InChIKeySUPXTNSDNAEJOF-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-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-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43287933
N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287870
1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43288239
1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
CID 43288020
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine
CID 43287935
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
N-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]butan-1-amine
CID 43288060
N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586232
1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43154475
1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43438630

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine?
The IUPAC name of 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine (CID 43287930) is 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine?
The canonical SMILES for 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine is CCCC(NC)c1ccc(-c2cc(C)ccc2C)s1.
What is the InChIKey of 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine?
The InChIKey is SUPXTNSDNAEJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-5-6-15(18-4)17-10-9-16(19-17)14-11-12(2)7-8-13(14)3/h7-11,15,18H,5-6H2,1-4H3.
What are the key properties of 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine?
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 43287930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).