2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline

C15H14ClF2N — CID 83081787

IUPAC2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline
SMILESCc1ccc(CNc2c(F)cc(F)cc2Cl)c(C)c1
InChIInChI=1S/C15H14ClF2N/c1-9-3-4-11(10(2)5-9)8-19-15-13(16)6-12(17)7-14(15)18/h3-7,19H,8H2,1-2H3
InChIKeyANDJEBYZSPFGTF-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.85
Rot. Bonds3

About 2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline

2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline (PubChem CID 83081787) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline
PubChem CID83081787
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline
SMILESCc1ccc(CNc2c(F)cc(F)cc2Cl)c(C)c1
InChIInChI=1S/C15H14ClF2N/c1-9-3-4-11(10(2)5-9)8-19-15-13(16)6-12(17)7-14(15)18/h3-7,19H,8H2,1-2H3
InChIKeyANDJEBYZSPFGTF-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]-2,4,6-trifluoroaniline
CID 106862809
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline
CID 106862279
2-bromo-6-chloro-4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107610276
2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline
CID 107527051
2-chloro-4,6-difluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 83081475
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-6-methylaniline
CID 66251464
2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 83082033
N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline
CID 63448392
2-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115125736
methyl 2-[(2-chloro-4,6-difluoroanilino)methyl]benzoate
CID 83074169
2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline
CID 83082100

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline?
The IUPAC name of 2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline (CID 83081787) is 2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline?
The canonical SMILES for 2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline is Cc1ccc(CNc2c(F)cc(F)cc2Cl)c(C)c1.
What is the InChIKey of 2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline?
The InChIKey is ANDJEBYZSPFGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-3-4-11(10(2)5-9)8-19-15-13(16)6-12(17)7-14(15)18/h3-7,19H,8H2,1-2H3.
What are the key properties of 2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline?
2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline has a molecular weight of 281.73 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline is sourced from PubChem (CID 83081787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).