N-methyl-N-phenyl-3-(trifluoromethyl)aniline

C14H12F3N — CID 11817583

IUPACN-methyl-N-phenyl-3-(trifluoromethyl)aniline
SMILESCN(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N/c1-18(12-7-3-2-4-8-12)13-9-5-6-11(10-13)14(15,16)17/h2-10H,1H3
InChIKeyPVHFXTDFVAMIED-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.47
Rot. Bonds2

About N-methyl-N-phenyl-3-(trifluoromethyl)aniline

N-methyl-N-phenyl-3-(trifluoromethyl)aniline (PubChem CID 11817583) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is N-methyl-N-phenyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-(trifluoromethyl)aniline
PubChem CID11817583
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC NameN-methyl-N-phenyl-3-(trifluoromethyl)aniline
SMILESCN(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3N/c1-18(12-7-3-2-4-8-12)13-9-5-6-11(10-13)14(15,16)17/h2-10H,1H3
InChIKeyPVHFXTDFVAMIED-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-(trifluoromethyl)aniline?
The IUPAC name of N-methyl-N-phenyl-3-(trifluoromethyl)aniline (CID 11817583) is N-methyl-N-phenyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-methyl-N-phenyl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-methyl-N-phenyl-3-(trifluoromethyl)aniline is CN(c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-phenyl-3-(trifluoromethyl)aniline?
The InChIKey is PVHFXTDFVAMIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-18(12-7-3-2-4-8-12)13-9-5-6-11(10-13)14(15,16)17/h2-10H,1H3.
What are the key properties of N-methyl-N-phenyl-3-(trifluoromethyl)aniline?
N-methyl-N-phenyl-3-(trifluoromethyl)aniline has a molecular weight of 251.25 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 11817583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).