[5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine

C13H12F3NS — CID 102755456

IUPAC[5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(CN)s1
InChIInChI=1S/C13H12F3NS/c1-8-6-9(13(14,15)16)2-4-11(8)12-5-3-10(7-17)18-12/h2-6H,7,17H2,1H3
InChIKeyOKYBSMCIJNADAW-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.20
Rot. Bonds2

About [5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine

[5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine (PubChem CID 102755456) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is [5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
PubChem CID102755456
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC Name[5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(CN)s1
InChIInChI=1S/C13H12F3NS/c1-8-6-9(13(14,15)16)2-4-11(8)12-5-3-10(7-17)18-12/h2-6H,7,17H2,1H3
InChIKeyOKYBSMCIJNADAW-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-tert-butyl-2-methylphenyl)thiophen-2-amine
CID 82479198
2-(2,4-dimethylphenyl)-5-ethylthiophene
CID 167264133
1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 66475853
[5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
CID 102755639
2-(5-fluorothiophen-2-yl)-5-(trifluoromethyl)aniline
CID 155271467
2-bromo-5-[2-methyl-4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 102752825
[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine
CID 62813233
[5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride
CID 126796868
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 102754278
2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
CID 164918327
cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
CID 66475661

Frequently Asked Questions

What is the IUPAC name of [5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine (CID 102755456) is [5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine is Cc1cc(C(F)(F)F)ccc1-c1ccc(CN)s1.
What is the InChIKey of [5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
The InChIKey is OKYBSMCIJNADAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c1-8-6-9(13(14,15)16)2-4-11(8)12-5-3-10(7-17)18-12/h2-6H,7,17H2,1H3.
What are the key properties of [5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
[5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine has a molecular weight of 271.31 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-methyl-4-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 102755456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).