2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

C15H13ClF3N — CID 66252816

IUPAC2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESCc1cccc(Cl)c1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3N/c1-10-4-2-7-13(16)14(10)20-9-11-5-3-6-12(8-11)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyLZVLGXQIGFDAKA-UHFFFAOYSA-N
MW299.72 g/mol
LogP5.28
Rot. Bonds3

About 2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 66252816) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID66252816
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESCc1cccc(Cl)c1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3N/c1-10-4-2-7-13(16)14(10)20-9-11-5-3-6-12(8-11)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyLZVLGXQIGFDAKA-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.72
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 29016762
2-chloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 65485316
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
2,5-dichloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 104726294
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline
CID 79984098
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989
2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 43436206
3-(tert-butylamino)-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione
CID 18922799
7-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
CID 70375869
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (CID 66252816) is 2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is Cc1cccc(Cl)c1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is LZVLGXQIGFDAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-10-4-2-7-13(16)14(10)20-9-11-5-3-6-12(8-11)15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of 2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 299.72 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 66252816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).