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

C17H18Cl2FN — CID 106857271

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)c1ccc(C)cc1Cl
InChIInChI=1S/C17H18Cl2FN/c1-3-21-17(14-7-4-11(2)8-16(14)19)9-12-5-6-13(20)10-15(12)18/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyWNCMUTHHWWBVMB-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.33
Rot. Bonds5

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

2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine (PubChem CID 106857271) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
PubChem CID106857271
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Cl)c1ccc(C)cc1Cl
InChIInChI=1S/C17H18Cl2FN/c1-3-21-17(14-7-4-11(2)8-16(14)19)9-12-5-6-13(20)10-15(12)18/h4-8,10,17,21H,3,9H2,1-2H3
InChIKeyWNCMUTHHWWBVMB-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

Analyze 2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106856990
1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867000
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105037902
1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63420154
2-(2,4-dichlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412980
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 79723401
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832366
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867876
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-ethylethanamine
CID 115983747
1-(2-bromo-4-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622698
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 106866868

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine (CID 106857271) is 2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine is CCNC(Cc1ccc(F)cc1Cl)c1ccc(C)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine?
The InChIKey is WNCMUTHHWWBVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-3-21-17(14-7-4-11(2)8-16(14)19)9-12-5-6-13(20)10-15(12)18/h4-8,10,17,21H,3,9H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine?
2-(2-chloro-4-fluorophenyl)-1-(2-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-(2-chloro-4-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine is sourced from PubChem (CID 106857271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).