2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine

C16H16ClF2N — CID 79723957

IUPAC2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H16ClF2N/c1-10-7-12(15(19)9-14(10)18)16(20-2)8-11-5-3-4-6-13(11)17/h3-7,9,16,20H,8H2,1-2H3
InChIKeyGFBFLLXDLKDGLO-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.43
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine

2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine (PubChem CID 79723957) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
PubChem CID79723957
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H16ClF2N/c1-10-7-12(15(19)9-14(10)18)16(20-2)8-11-5-3-4-6-13(11)17/h3-7,9,16,20H,8H2,1-2H3
InChIKeyGFBFLLXDLKDGLO-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine 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

2-(5-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 103053283
2-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 105037680
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 82772326
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302394
2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115839081
1-(5-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63527546
2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 103048581
1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 102618613
1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine
CID 105029138

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine (CID 79723957) is 2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine is CNC(Cc1ccccc1Cl)c1cc(C)c(F)cc1F.
What is the InChIKey of 2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine?
The InChIKey is GFBFLLXDLKDGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-10-7-12(15(19)9-14(10)18)16(20-2)8-11-5-3-4-6-13(11)17/h3-7,9,16,20H,8H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine?
2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine has a molecular weight of 295.76 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 79723957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).