N-methyl-4-[4-(trifluoromethyl)phenyl]aniline

C14H12F3N — CID 23625978

IUPACN-methyl-4-[4-(trifluoromethyl)phenyl]aniline
SMILESCNc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3N/c1-18-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15,16)17/h2-9,18H,1H3
InChIKeyKPEUWXDPXPGBFC-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.41
Rot. Bonds2

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

N-methyl-4-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 23625978) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is N-methyl-4-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[4-(trifluoromethyl)phenyl]aniline
PubChem CID23625978
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC NameN-methyl-4-[4-(trifluoromethyl)phenyl]aniline
SMILESCNc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3N/c1-18-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15,16)17/h2-9,18H,1H3
InChIKeyKPEUWXDPXPGBFC-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of N-methyl-4-[4-(trifluoromethyl)phenyl]aniline (CID 23625978) is N-methyl-4-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for N-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for N-methyl-4-[4-(trifluoromethyl)phenyl]aniline is CNc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is KPEUWXDPXPGBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-18-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15,16)17/h2-9,18H,1H3.
What are the key properties of N-methyl-4-[4-(trifluoromethyl)phenyl]aniline?
N-methyl-4-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 251.25 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 23625978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).