2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline

C15H14ClF2N — CID 107631161

IUPAC2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NC(C)c2ccc(F)cc2F)c1
InChIInChI=1S/C15H14ClF2N/c1-9-3-6-13(16)15(7-9)19-10(2)12-5-4-11(17)8-14(12)18/h3-8,10,19H,1-2H3
InChIKeyCJZWEVYUAZZANX-UHFFFAOYSA-N
MW281.73 g/mol
LogP5.10
Rot. Bonds3

About 2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline

2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline (PubChem CID 107631161) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline
PubChem CID107631161
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NC(C)c2ccc(F)cc2F)c1
InChIInChI=1S/C15H14ClF2N/c1-9-3-6-13(16)15(7-9)19-10(2)12-5-4-11(17)8-14(12)18/h3-8,10,19H,1-2H3
InChIKeyCJZWEVYUAZZANX-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.73
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
CID 43772675
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-chloro-4-methylaniline
CID 82963042
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43761125
6-chloro-N-[1-(2,4-difluorophenyl)ethyl]-1,3-benzodioxol-5-amine
CID 43685834
2-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-methylaniline
CID 107631308
2-[1-(2-chloro-4-methylanilino)ethyl]-5-fluorophenol
CID 63064776
N-[1-(2,4-difluorophenyl)ethyl]-4-methyl-2-nitroaniline
CID 43718677
N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline
CID 62810510
4-[1-(2-chloro-5-methylanilino)ethyl]phenol
CID 107631148
N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43094302
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline?
The IUPAC name of 2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline (CID 107631161) is 2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline.
What is the SMILES notation for 2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline?
The canonical SMILES for 2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline is Cc1ccc(Cl)c(NC(C)c2ccc(F)cc2F)c1.
What is the InChIKey of 2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline?
The InChIKey is CJZWEVYUAZZANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-3-6-13(16)15(7-9)19-10(2)12-5-4-11(17)8-14(12)18/h3-8,10,19H,1-2H3.
What are the key properties of 2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline?
2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline has a molecular weight of 281.73 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline is sourced from PubChem (CID 107631161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).