1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine

C16H17Cl2N — CID 140524839

IUPAC1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Cl)cc1-c1cccc(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-3-19-11(2)15-8-7-14(18)10-16(15)12-5-4-6-13(17)9-12/h4-11,19H,3H2,1-2H3
InChIKeyGOOWULWSIGBXSH-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.33
Rot. Bonds4

About 1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine

1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine (PubChem CID 140524839) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine
PubChem CID140524839
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Cl)cc1-c1cccc(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-3-19-11(2)15-8-7-14(18)10-16(15)12-5-4-6-13(17)9-12/h4-11,19H,3H2,1-2H3
InChIKeyGOOWULWSIGBXSH-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine
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1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
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4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene
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1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine
CID 82783500
1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285575
N-[3-(2-butan-2-yl-5-chlorophenyl)phenyl]methanesulfonamide
CID 126760459
1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 115504411
N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine
CID 54911693
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
3-(5-chloro-2-pentan-3-ylphenyl)benzoic acid
CID 134401341
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine
CID 115503189

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine (CID 140524839) is 1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Cl)cc1-c1cccc(Cl)c1.
What is the InChIKey of 1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine?
The InChIKey is GOOWULWSIGBXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-3-19-11(2)15-8-7-14(18)10-16(15)12-5-4-6-13(17)9-12/h4-11,19H,3H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine?
1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine has a molecular weight of 294.23 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(3-chlorophenyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 140524839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).