(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine

C14H17NS — CID 79985619

IUPAC(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine
SMILESCCc1ccsc1C(N)c1ccc(C)cc1
InChIInChI=1S/C14H17NS/c1-3-11-8-9-16-14(11)13(15)12-6-4-10(2)5-7-12/h4-9,13H,3,15H2,1-2H3
InChIKeyIBTZSFCUWUFQMW-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.67
Rot. Bonds3

About (3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine

(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine (PubChem CID 79985619) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine
PubChem CID79985619
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine
SMILESCCc1ccsc1C(N)c1ccc(C)cc1
InChIInChI=1S/C14H17NS/c1-3-11-8-9-16-14(11)13(15)12-6-4-10(2)5-7-12/h4-9,13H,3,15H2,1-2H3
InChIKeyIBTZSFCUWUFQMW-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine 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

(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine
CID 79972493
(3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine
CID 79985784
(3-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 104988308
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 105006834
2-[bromo-(3,4-dimethylphenyl)methyl]-3-ethylthiophene
CID 79975064
(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105018973
(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine
CID 103301726
(3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine
CID 115827861
(3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 105053637
1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine
CID 104995454
2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976014

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine?
The IUPAC name of (3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine (CID 79985619) is (3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine?
The canonical SMILES for (3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine is CCc1ccsc1C(N)c1ccc(C)cc1.
What is the InChIKey of (3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine?
The InChIKey is IBTZSFCUWUFQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-3-11-8-9-16-14(11)13(15)12-6-4-10(2)5-7-12/h4-9,13H,3,15H2,1-2H3.
What are the key properties of (3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine?
(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine has a molecular weight of 231.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine is sourced from PubChem (CID 79985619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).