[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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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).