N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline

C14H11ClF3N — CID 106862809

IUPACN-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline
SMILESCc1ccc(CNc2c(F)cc(F)cc2F)c(Cl)c1
InChIInChI=1S/C14H11ClF3N/c1-8-2-3-9(11(15)4-8)7-19-14-12(17)5-10(16)6-13(14)18/h2-6,19H,7H2,1H3
InChIKeyYVYSAUKWEZXPCC-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.68
Rot. Bonds3

About N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline

N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline (PubChem CID 106862809) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline
PubChem CID106862809
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline
SMILESCc1ccc(CNc2c(F)cc(F)cc2F)c(Cl)c1
InChIInChI=1S/C14H11ClF3N/c1-8-2-3-9(11(15)4-8)7-19-14-12(17)5-10(16)6-13(14)18/h2-6,19H,7H2,1H3
InChIKeyYVYSAUKWEZXPCC-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline
CID 106862279
2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline
CID 83081787
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoroaniline
CID 107364998
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469947
3-chloro-4-[(2,4,6-trifluoroanilino)methyl]benzonitrile
CID 102664684
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168
3,5-dichloro-N-[(2-chloro-4-methylphenyl)methyl]-4-fluoroaniline
CID 107573899
N-[(4-bromo-2-chlorophenyl)methyl]-3-fluoro-5-methylaniline
CID 113470978
N-[(2-chloro-4-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054679
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106865458
5-[(2-chloro-4-methylphenyl)methylamino]-2-fluorobenzonitrile
CID 106862578

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline (CID 106862809) is N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline is Cc1ccc(CNc2c(F)cc(F)cc2F)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline?
The InChIKey is YVYSAUKWEZXPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c1-8-2-3-9(11(15)4-8)7-19-14-12(17)5-10(16)6-13(14)18/h2-6,19H,7H2,1H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline?
N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline has a molecular weight of 285.70 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline is sourced from PubChem (CID 106862809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).