2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine

C17H18Cl2FN — CID 105055513

IUPAC2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H18Cl2FN/c1-3-21-17(13-5-4-11(2)15(19)8-13)9-12-6-7-14(18)10-16(12)20/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyGLIMQUIAMANZHF-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.33
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine

2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine (PubChem CID 105055513) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
PubChem CID105055513
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H18Cl2FN/c1-3-21-17(13-5-4-11(2)15(19)8-13)9-12-6-7-14(18)10-16(12)20/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyGLIMQUIAMANZHF-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115843296
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 114855165
1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840151
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242
1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618
1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347679
1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103053128
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
1-(4-bromo-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840302
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine (CID 105055513) is 2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)cc1F)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine?
The InChIKey is GLIMQUIAMANZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-3-21-17(13-5-4-11(2)15(19)8-13)9-12-6-7-14(18)10-16(12)20/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine?
2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine has a molecular weight of 326.24 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 105055513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).