[3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine

C21H20F3NS — CID 145262686

IUPAC[3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
SMILESCc1ccc(-c2ccc(-c3sc(CN)c(C)c3C)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H20F3NS/c1-12-4-6-15(7-5-12)16-8-9-17(18(10-16)21(22,23)24)20-14(3)13(2)19(11-25)26-20/h4-10H,11,25H2,1-3H3
InChIKeyQWLAURFIGLUCAJ-UHFFFAOYSA-N
MW375.46 g/mol
LogP6.48
Rot. Bonds3

About [3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine

[3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine (PubChem CID 145262686) has the molecular formula C21H20F3NS and a molecular weight of 375.46 g/mol. Its IUPAC name is [3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
PubChem CID145262686
Molecular FormulaC21H20F3NS
Molecular Weight375.46 g/mol
Exact Mass375.13
IUPAC Name[3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
SMILESCc1ccc(-c2ccc(-c3sc(CN)c(C)c3C)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H20F3NS/c1-12-4-6-15(7-5-12)16-8-9-17(18(10-16)21(22,23)24)20-14(3)13(2)19(11-25)26-20/h4-10H,11,25H2,1-3H3
InChIKeyQWLAURFIGLUCAJ-UHFFFAOYSA-N
XLogP6.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.46
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
The IUPAC name of [3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine (CID 145262686) is [3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
The canonical SMILES for [3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine is Cc1ccc(-c2ccc(-c3sc(CN)c(C)c3C)c(C(F)(F)F)c2)cc1.
What is the InChIKey of [3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
The InChIKey is QWLAURFIGLUCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NS/c1-12-4-6-15(7-5-12)16-8-9-17(18(10-16)21(22,23)24)20-14(3)13(2)19(11-25)26-20/h4-10H,11,25H2,1-3H3.
What are the key properties of [3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
[3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine has a molecular weight of 375.46 g/mol, XLogP of 6.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethyl-5-[4-(4-methylphenyl)-2-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 145262686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).