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

C16H16Cl2FN — CID 82782480

IUPAC1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(F)cc2Cl)cc1Cl
InChIInChI=1S/C16H16Cl2FN/c1-3-20-10(2)13-6-4-11(8-15(13)17)14-7-5-12(19)9-16(14)18/h4-10,20H,3H2,1-2H3
InChIKeyBDDLDMXFAGXCCY-UHFFFAOYSA-N
MW312.22 g/mol
LogP5.47
Rot. Bonds4

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

1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine (PubChem CID 82782480) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
PubChem CID82782480
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(F)cc2Cl)cc1Cl
InChIInChI=1S/C16H16Cl2FN/c1-3-20-10(2)13-6-4-11(8-15(13)17)14-7-5-12(19)9-16(14)18/h4-10,20H,3H2,1-2H3
InChIKeyBDDLDMXFAGXCCY-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-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-(2,4-difluorophenyl)phenyl]-N-ethylethanamine
CID 82783500
1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine
CID 82783028
N-[1-[2-chloro-4-(2,4-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772125
1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
CID 82782215
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine
CID 82772280
3-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]-5-fluorobenzonitrile
CID 82772148
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460624
1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780933
N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82771991
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982237

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine (CID 82782480) is 1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(-c2ccc(F)cc2Cl)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine?
The InChIKey is BDDLDMXFAGXCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-3-20-10(2)13-6-4-11(8-15(13)17)14-7-5-12(19)9-16(14)18/h4-10,20H,3H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine?
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine has a molecular weight of 312.22 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82782480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).