3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline

C14H11Cl4N — CID 43099454

IUPAC3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl4N/c1-8(13-3-2-9(15)7-14(13)18)19-12-5-10(16)4-11(17)6-12/h2-8,19H,1H3
InChIKeyOQYQWFHPIVTCFI-UHFFFAOYSA-N
MW335.06 g/mol
LogP6.47
Rot. Bonds3

About 3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline

3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline (PubChem CID 43099454) has the molecular formula C14H11Cl4N and a molecular weight of 335.06 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
PubChem CID43099454
Molecular FormulaC14H11Cl4N
Molecular Weight335.06 g/mol
Exact Mass332.96
IUPAC Name3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl4N/c1-8(13-3-2-9(15)7-14(13)18)19-12-5-10(16)4-11(17)6-12/h2-8,19H,1H3
InChIKeyOQYQWFHPIVTCFI-UHFFFAOYSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.06
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
N-[1-(2,4-dichlorophenyl)ethyl]thiophen-3-amine
CID 66351684
4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol
CID 107714542
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375945
3-N-[1-(2,4-dichlorophenyl)ethyl]-5-ethoxybenzene-1,3-diamine
CID 80726509
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-4-nitroaniline
CID 82865314
4-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-3-methoxyaniline
CID 82858118
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
CID 43094066

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline?
The IUPAC name of 3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline (CID 43099454) is 3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline is CC(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline?
The InChIKey is OQYQWFHPIVTCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4N/c1-8(13-3-2-9(15)7-14(13)18)19-12-5-10(16)4-11(17)6-12/h2-8,19H,1H3.
What are the key properties of 3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline?
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline has a molecular weight of 335.06 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline is sourced from PubChem (CID 43099454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).