2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine

C14H11Cl4N — CID 115839922

IUPAC2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl4N/c15-9-5-4-8(12(18)7-9)6-13(19)14-10(16)2-1-3-11(14)17/h1-5,7,13H,6,19H2
InChIKeyCKDJHFOMMYRTBF-UHFFFAOYSA-N
MW335.06 g/mol
LogP5.54
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine

2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine (PubChem CID 115839922) has the molecular formula C14H11Cl4N and a molecular weight of 335.06 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
PubChem CID115839922
Molecular FormulaC14H11Cl4N
Molecular Weight335.06 g/mol
Exact Mass332.96
IUPAC Name2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl4N/c15-9-5-4-8(12(18)7-9)6-13(19)14-10(16)2-1-3-11(14)17/h1-5,7,13H,6,19H2
InChIKeyCKDJHFOMMYRTBF-UHFFFAOYSA-N
XLogP5.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.06
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dichlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 62502807
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 107974357
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132494
[1-(2-bromo-6-chlorophenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 114269201
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 115840311
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine
CID 115839362
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
1-(2,6-dichlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376936
4-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132810

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine (CID 115839922) is 2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine is NC(Cc1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine?
The InChIKey is CKDJHFOMMYRTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4N/c15-9-5-4-8(12(18)7-9)6-13(19)14-10(16)2-1-3-11(14)17/h1-5,7,13H,6,19H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine?
2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine has a molecular weight of 335.06 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 115839922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).