2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline

C15H14Cl2FN — CID 43772675

IUPAC2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-9-3-6-15(14(17)7-9)19-10(2)12-5-4-11(18)8-13(12)16/h3-8,10,19H,1-2H3
InChIKeyDHJUPPSXULRDIC-UHFFFAOYSA-N
MW298.19 g/mol
LogP5.61
Rot. Bonds3

About 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline

2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline (PubChem CID 43772675) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
PubChem CID43772675
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(F)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FN/c1-9-3-6-15(14(17)7-9)19-10(2)12-5-4-11(18)8-13(12)16/h3-8,10,19H,1-2H3
InChIKeyDHJUPPSXULRDIC-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.19
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2-chloro-4-methylanilino)ethyl]-5-fluorophenol
CID 63064776
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43761125
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-chloro-4-methylaniline
CID 82963042
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
CID 43766127
2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline
CID 107631161
3-[1-(2-chloro-4-fluorophenyl)ethylamino]-2,6-dimethylphenol
CID 43790193
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449279
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43150400
4-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,6-dimethylaniline
CID 63449107
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline?
The IUPAC name of 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline (CID 43772675) is 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline.
What is the SMILES notation for 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline?
The canonical SMILES for 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline is Cc1ccc(NC(C)c2ccc(F)cc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline?
The InChIKey is DHJUPPSXULRDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-9-3-6-15(14(17)7-9)19-10(2)12-5-4-11(18)8-13(12)16/h3-8,10,19H,1-2H3.
What are the key properties of 2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline?
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylaniline has a molecular weight of 298.19 g/mol, XLogP of 5.61, 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-chloro-4-fluorophenyl)ethyl]-4-methylaniline is sourced from PubChem (CID 43772675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).