2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline

C15H12F5N — CID 115350292

IUPAC2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline
SMILESCc1ccc(NCc2cc(F)cc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H12F5N/c1-9-2-3-14(13(17)4-9)21-8-10-5-11(15(18,19)20)7-12(16)6-10/h2-7,21H,8H2,1H3
InChIKeyPUFYEBGRQIQJGF-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.90
Rot. Bonds3

About 2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline

2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline (PubChem CID 115350292) has the molecular formula C15H12F5N and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline
PubChem CID115350292
Molecular FormulaC15H12F5N
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline
SMILESCc1ccc(NCc2cc(F)cc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H12F5N/c1-9-2-3-14(13(17)4-9)21-8-10-5-11(15(18,19)20)7-12(16)6-10/h2-7,21H,8H2,1H3
InChIKeyPUFYEBGRQIQJGF-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline
CID 115350196
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-methylaniline
CID 104953898
2-bromo-5-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 107633013
N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879315
N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
3-chloro-4-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 115350293
4-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 83166741
N-benzyl-2-fluoro-4-(trifluoromethyl)aniline
CID 103636039
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 3312760
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline
CID 106528416

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline?
The IUPAC name of 2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline (CID 115350292) is 2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline.
What is the SMILES notation for 2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline?
The canonical SMILES for 2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline is Cc1ccc(NCc2cc(F)cc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline?
The InChIKey is PUFYEBGRQIQJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N/c1-9-2-3-14(13(17)4-9)21-8-10-5-11(15(18,19)20)7-12(16)6-10/h2-7,21H,8H2,1H3.
What are the key properties of 2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline?
2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline has a molecular weight of 301.26 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline is sourced from PubChem (CID 115350292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).