2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine

C14H17NS — CID 61080016

IUPAC2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(CC(N)c2sccc2C)cc1
InChIInChI=1S/C14H17NS/c1-10-3-5-12(6-4-10)9-13(15)14-11(2)7-8-16-14/h3-8,13H,9,15H2,1-2H3
InChIKeyOHKBVUXHXIEADK-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.61
Rot. Bonds3

About 2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine

2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 61080016) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID61080016
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(CC(N)c2sccc2C)cc1
InChIInChI=1S/C14H17NS/c1-10-3-5-12(6-4-10)9-13(15)14-11(2)7-8-16-14/h3-8,13H,9,15H2,1-2H3
InChIKeyOHKBVUXHXIEADK-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine 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-(3-methylthiophen-2-yl)-2-thiophen-2-ylethanamine
CID 61079972
2-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61078535
1-(3,5-dimethylthiophen-2-yl)-2-(4-methylphenyl)ethanamine
CID 81156786
1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79988045
2-(5-ethylthiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115842607
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
2-(furan-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 105029463
2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115847883
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine (CID 61080016) is 2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine is Cc1ccc(CC(N)c2sccc2C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is OHKBVUXHXIEADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-3-5-12(6-4-10)9-13(15)14-11(2)7-8-16-14/h3-8,13H,9,15H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine?
2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 231.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 61080016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).