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

C14H12F3N — CID 10658372

IUPACN-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1cccc(CNc2ccccc2)c1
InChIInChI=1S/C14H12F3N/c15-14(16,17)12-6-4-5-11(9-12)10-18-13-7-2-1-3-8-13/h1-9,18H,10H2
InChIKeyGEDDIBYSNSLOJU-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.32
Rot. Bonds3

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

N-[[3-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 10658372) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID10658372
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1cccc(CNc2ccccc2)c1
InChIInChI=1S/C14H12F3N/c15-14(16,17)12-6-4-5-11(9-12)10-18-13-7-2-1-3-8-13/h1-9,18H,10H2
InChIKeyGEDDIBYSNSLOJU-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-iodo-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28878737
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 65025403
4-ethynyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 44819185
3-[[3-(trifluoromethyl)anilino]methyl]benzoic acid
CID 82095988
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363874
2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 43436206
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
N-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-3-phenoxyaniline
CID 141060077
N-[(3-chloro-4-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 81143843
3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 62338817

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methyl]aniline (CID 10658372) is N-[[3-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methyl]aniline is FC(F)(F)c1cccc(CNc2ccccc2)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is GEDDIBYSNSLOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c15-14(16,17)12-6-4-5-11(9-12)10-18-13-7-2-1-3-8-13/h1-9,18H,10H2.
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
N-[[3-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 251.25 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 10658372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).