1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine

C16H16Cl3N — CID 43102822

IUPAC1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccc(Cl)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C16H16Cl3N/c1-11(13-3-2-4-14(17)9-13)20-8-7-12-5-6-15(18)10-16(12)19/h2-6,9-11,20H,7-8H2,1H3
InChIKeyPYDKFHXZGKIKOS-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.54
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine

1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine (PubChem CID 43102822) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
PubChem CID43102822
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccc(Cl)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C16H16Cl3N/c1-11(13-3-2-4-14(17)9-13)20-8-7-12-5-6-15(18)10-16(12)19/h2-6,9-11,20H,7-8H2,1H3
InChIKeyPYDKFHXZGKIKOS-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43099502
5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107704995
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81366429
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104862306
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
N-[1-(3-chlorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115899474
N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 28532239

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine (CID 43102822) is 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine is CC(NCCc1ccc(Cl)cc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine?
The InChIKey is PYDKFHXZGKIKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c1-11(13-3-2-4-14(17)9-13)20-8-7-12-5-6-15(18)10-16(12)19/h2-6,9-11,20H,7-8H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine?
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine has a molecular weight of 328.67 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43102822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).