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

C13H12F3NS — CID 172650610

IUPAC[4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(-c2ccc(CN)c(C(F)(F)F)c2)s1
InChIInChI=1S/C13H12F3NS/c1-8-2-5-12(18-8)9-3-4-10(7-17)11(6-9)13(14,15)16/h2-6H,7,17H2,1H3
InChIKeyRFYBNEFSZSAVME-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.20
Rot. Bonds2

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

[4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 172650610) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is [4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine
PubChem CID172650610
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC Name[4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(-c2ccc(CN)c(C(F)(F)F)c2)s1
InChIInChI=1S/C13H12F3NS/c1-8-2-5-12(18-8)9-3-4-10(7-17)11(6-9)13(14,15)16/h2-6H,7,17H2,1H3
InChIKeyRFYBNEFSZSAVME-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-methyl-2-(5-methylthiophen-2-yl)-3-(trifluoromethyl)thiophene
CID 118145673
2-(2-methylbutan-2-yl)-4-(5-methylthiophen-2-yl)aniline
CID 67566839
[4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 166611510
[3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
CID 145262686
[4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 127262587
[2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol
CID 19261309
[4-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)phenyl]methanamine
CID 62267500
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62130684
[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)phenyl]methanamine
CID 61346300
[2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine
CID 154810032
7-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
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CID 62105465

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine (CID 172650610) is [4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine is Cc1ccc(-c2ccc(CN)c(C(F)(F)F)c2)s1.
What is the InChIKey of [4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RFYBNEFSZSAVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c1-8-2-5-12(18-8)9-3-4-10(7-17)11(6-9)13(14,15)16/h2-6H,7,17H2,1H3.
What are the key properties of [4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine?
[4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]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 [4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 172650610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).