3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline

C14H11Cl3FN — CID 83069760

IUPAC3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11Cl3FN/c1-8(9-2-4-12(16)14(18)6-9)19-10-3-5-11(15)13(17)7-10/h2-8,19H,1H3
InChIKeyJLJLSNPQMRWEMJ-UHFFFAOYSA-N
MW318.61 g/mol
LogP5.96
Rot. Bonds3

About 3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline

3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline (PubChem CID 83069760) has the molecular formula C14H11Cl3FN and a molecular weight of 318.61 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
PubChem CID83069760
Molecular FormulaC14H11Cl3FN
Molecular Weight318.61 g/mol
Exact Mass316.99
IUPAC Name3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11Cl3FN/c1-8(9-2-4-12(16)14(18)6-9)19-10-3-5-11(15)13(17)7-10/h2-8,19H,1H3
InChIKeyJLJLSNPQMRWEMJ-UHFFFAOYSA-N
XLogP5.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.61
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
N-[1-(4-chloro-3-fluorophenyl)ethyl]-6-methylpyridin-3-amine
CID 83069397
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 43721439
3-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069843
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
4-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3,5-dimethylaniline
CID 107571978
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43721502
5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
CID 107704974
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 83058691
4-chloro-3-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43721459

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline?
The IUPAC name of 3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline (CID 83069760) is 3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline is CC(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline?
The InChIKey is JLJLSNPQMRWEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FN/c1-8(9-2-4-12(16)14(18)6-9)19-10-3-5-11(15)13(17)7-10/h2-8,19H,1H3.
What are the key properties of 3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline?
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline has a molecular weight of 318.61 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 83069760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).