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

C14H11ClF3N — CID 28521330

IUPAC2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1cccc(CNc2ccccc2Cl)c1
InChIInChI=1S/C14H11ClF3N/c15-12-6-1-2-7-13(12)19-9-10-4-3-5-11(8-10)14(16,17)18/h1-8,19H,9H2
InChIKeyWBPVEDBSXXIRLV-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.97
Rot. Bonds3

About 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 28521330) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID28521330
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESFC(F)(F)c1cccc(CNc2ccccc2Cl)c1
InChIInChI=1S/C14H11ClF3N/c15-12-6-1-2-7-13(12)19-9-10-4-3-5-11(8-10)14(16,17)18/h1-8,19H,9H2
InChIKeyWBPVEDBSXXIRLV-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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Related Compounds

2,5-dichloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 104726294
2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 66252816
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
2-chloro-N-[(3-methylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 28542855
3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]benzoic acid
CID 155154139
2,3,5-trifluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 62809900
(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28530583
1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4678007
4-(chloromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 65025403
3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363874
N-[(3-chloro-2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115656673
2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (CID 28521330) is 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is FC(F)(F)c1cccc(CNc2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is WBPVEDBSXXIRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-12-6-1-2-7-13(12)19-9-10-4-3-5-11(8-10)14(16,17)18/h1-8,19H,9H2.
What are the key properties of 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
2-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 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 28521330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).