N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline

C16H14F6N2 — CID 58823062

IUPACN-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
SMILESCNc1ccc(-c2ccc(NC)c(C(F)(F)F)c2)cc1C(F)(F)F
InChIInChI=1S/C16H14F6N2/c1-23-13-5-3-9(7-11(13)15(17,18)19)10-4-6-14(24-2)12(8-10)16(20,21)22/h3-8,23-24H,1-2H3
InChIKeyWJTVLSIWBNJGIN-UHFFFAOYSA-N
MW348.29 g/mol
LogP5.47
Rot. Bonds3

About N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline

N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline (PubChem CID 58823062) has the molecular formula C16H14F6N2 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
PubChem CID58823062
Molecular FormulaC16H14F6N2
Molecular Weight348.29 g/mol
Exact Mass348.11
IUPAC NameN-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
SMILESCNc1ccc(-c2ccc(NC)c(C(F)(F)F)c2)cc1C(F)(F)F
InChIInChI=1S/C16H14F6N2/c1-23-13-5-3-9(7-11(13)15(17,18)19)10-4-6-14(24-2)12(8-10)16(20,21)22/h3-8,23-24H,1-2H3
InChIKeyWJTVLSIWBNJGIN-UHFFFAOYSA-N
XLogP5.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.29
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline (CID 58823062) is N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline is CNc1ccc(-c2ccc(NC)c(C(F)(F)F)c2)cc1C(F)(F)F.
What is the InChIKey of N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline?
The InChIKey is WJTVLSIWBNJGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6N2/c1-23-13-5-3-9(7-11(13)15(17,18)19)10-4-6-14(24-2)12(8-10)16(20,21)22/h3-8,23-24H,1-2H3.
What are the key properties of N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline?
N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline has a molecular weight of 348.29 g/mol, XLogP of 5.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(methylamino)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 58823062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).