2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline

C14H12Cl3N — CID 43081262

IUPAC2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H12Cl3N/c1-9(11-4-2-3-5-12(11)16)18-14-7-6-10(15)8-13(14)17/h2-9,18H,1H3
InChIKeyUZOZKGZCGSAJRS-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.82
Rot. Bonds3

About 2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline

2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline (PubChem CID 43081262) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
PubChem CID43081262
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
SMILESCC(Nc1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H12Cl3N/c1-9(11-4-2-3-5-12(11)16)18-14-7-6-10(15)8-13(14)17/h2-9,18H,1H3
InChIKeyUZOZKGZCGSAJRS-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

2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432
2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43105982
7-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]quinolin-4-amine
CID 7830951
4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline
CID 43082336
2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43097452
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674521
2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758710
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
CID 43095344

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline?
The IUPAC name of 2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline (CID 43081262) is 2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline is CC(Nc1ccc(Cl)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline?
The InChIKey is UZOZKGZCGSAJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c1-9(11-4-2-3-5-12(11)16)18-14-7-6-10(15)8-13(14)17/h2-9,18H,1H3.
What are the key properties of 2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline?
2,4-dichloro-N-[1-(2-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 2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline is sourced from PubChem (CID 43081262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).