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

C14H11ClF3N — CID 10946051

IUPAC3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1cccc(CNc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClF3N/c15-12-5-2-6-13(8-12)19-9-10-3-1-4-11(7-10)14(16,17)18/h1-8,19H,9H2
InChIKeyIFFYHFORSHLDRS-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.97
Rot. Bonds3

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

3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 10946051) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID10946051
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1cccc(CNc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11ClF3N/c15-12-5-2-6-13(8-12)19-9-10-3-1-4-11(7-10)14(16,17)18/h1-8,19H,9H2
InChIKeyIFFYHFORSHLDRS-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (CID 10946051) is 3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is FC(F)(F)c1cccc(CNc2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is IFFYHFORSHLDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-12-5-2-6-13(8-12)19-9-10-3-1-4-11(7-10)14(16,17)18/h1-8,19H,9H2.
What are the key properties of 3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 285.70 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 10946051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).