(3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine

C13H11ClF3NS — CID 103405830

IUPAC(3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1csc(C(N)c2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C13H11ClF3NS/c1-7-6-19-12(10(7)14)11(18)8-3-2-4-9(5-8)13(15,16)17/h2-6,11H,18H2,1H3
InChIKeyIKLOSIXQSBZDJK-UHFFFAOYSA-N
MW305.75 g/mol
LogP4.78
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine

(3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 103405830) has the molecular formula C13H11ClF3NS and a molecular weight of 305.75 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID103405830
Molecular FormulaC13H11ClF3NS
Molecular Weight305.75 g/mol
Exact Mass305.03
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1csc(C(N)c2cccc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C13H11ClF3NS/c1-7-6-19-12(10(7)14)11(18)8-3-2-4-9(5-8)13(15,16)17/h2-6,11H,18H2,1H3
InChIKeyIKLOSIXQSBZDJK-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]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-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291796
(3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 81157473
(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65105009
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 103405485
(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 103401213
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(4-propan-2-ylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 105141412
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 103405312
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115566981

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine (CID 103405830) is (3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine is Cc1csc(C(N)c2cccc(C(F)(F)F)c2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is IKLOSIXQSBZDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NS/c1-7-6-19-12(10(7)14)11(18)8-3-2-4-9(5-8)13(15,16)17/h2-6,11H,18H2,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine?
(3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 305.75 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 103405830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).