2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine

C16H16Cl3N — CID 63527053

IUPAC2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl3N/c1-2-20-16(7-11-3-5-13(17)6-4-11)12-8-14(18)10-15(19)9-12/h3-6,8-10,16,20H,2,7H2,1H3
InChIKeyBKKXKAIAMGLPSI-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.54
Rot. Bonds5

About 2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine

2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine (PubChem CID 63527053) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
PubChem CID63527053
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl3N/c1-2-20-16(7-11-3-5-13(17)6-4-11)12-8-14(18)10-15(19)9-12/h3-6,8-10,16,20H,2,7H2,1H3
InChIKeyBKKXKAIAMGLPSI-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

2-(3-bromo-4-fluorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115818713
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107955243
1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 63526721
2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990147
1-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 82883080
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865
1-(3,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 115782535
2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 62964463
2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 43493168
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 105015428

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine (CID 63527053) is 2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine?
The InChIKey is BKKXKAIAMGLPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c1-2-20-16(7-11-3-5-13(17)6-4-11)12-8-14(18)10-15(19)9-12/h3-6,8-10,16,20H,2,7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine?
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine 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 2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 63527053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).