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

C14H12Cl3N — CID 43096908

IUPAC3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl3N/c1-9(10-2-4-11(15)5-3-10)18-12-6-7-13(16)14(17)8-12/h2-9,18H,1H3
InChIKeyMHZOYFKTGJHJPX-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.82
Rot. Bonds3

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

3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline (PubChem CID 43096908) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
PubChem CID43096908
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl3N/c1-9(10-2-4-11(15)5-3-10)18-12-6-7-13(16)14(17)8-12/h2-9,18H,1H3
InChIKeyMHZOYFKTGJHJPX-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.62
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
CID 107704974
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
3,4-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43101196
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 43721439
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43096931

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline?
The IUPAC name of 3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline (CID 43096908) is 3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline is CC(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline?
The InChIKey is MHZOYFKTGJHJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c1-9(10-2-4-11(15)5-3-10)18-12-6-7-13(16)14(17)8-12/h2-9,18H,1H3.
What are the key properties of 3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline?
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline has a molecular weight of 300.62 g/mol, XLogP of 5.82, 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-chlorophenyl)ethyl]aniline is sourced from PubChem (CID 43096908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).