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

C16H15Cl2F2N — CID 107995783

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H15Cl2F2N/c1-2-21-15(10-6-7-12(17)14(19)8-10)9-11-4-3-5-13(18)16(11)20/h3-8,15,21H,2,9H2,1H3
InChIKeyWRSGHVXEABCGGK-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.16
Rot. Bonds5

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

2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine (PubChem CID 107995783) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
PubChem CID107995783
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cccc(Cl)c1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H15Cl2F2N/c1-2-21-15(10-6-7-12(17)14(19)8-10)9-11-4-3-5-13(18)16(11)20/h3-8,15,21H,2,9H2,1H3
InChIKeyWRSGHVXEABCGGK-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-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-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
1-(3-bromo-5-methylphenyl)-2-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 102866399
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032667
2-(2,3-dichlorophenyl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
CID 107308460
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 102857521
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
1-(4-bromo-3-chlorophenyl)-2-(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032327
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107995020
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
CID 82790001
1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107884748
2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 102866395
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 82806395

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine (CID 107995783) is 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine is CCNC(Cc1cccc(Cl)c1F)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
The InChIKey is WRSGHVXEABCGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-2-21-15(10-6-7-12(17)14(19)8-10)9-11-4-3-5-13(18)16(11)20/h3-8,15,21H,2,9H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine?
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine has a molecular weight of 330.21 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 107995783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).