2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine

C16H16ClF2N — CID 103048488

IUPAC2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1ccc(C)c(F)c1
InChIInChI=1S/C16H16ClF2N/c1-10-3-4-11(8-15(10)19)16(20-2)9-12-7-13(17)5-6-14(12)18/h3-8,16,20H,9H2,1-2H3
InChIKeyAMKYTAAFAZVXMB-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.43
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine

2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine (PubChem CID 103048488) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
PubChem CID103048488
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1ccc(C)c(F)c1
InChIInChI=1S/C16H16ClF2N/c1-10-3-4-11(8-15(10)19)16(20-2)9-12-7-13(17)5-6-14(12)18/h3-8,16,20H,9H2,1-2H3
InChIKeyAMKYTAAFAZVXMB-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-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-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-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 102857521
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 115809738
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 103052923
2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 114855348
2-(5-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 103053283
2-(2,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 63412888
2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 103052743
2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 63413610
1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 63195375
1-(3-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63418747
1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810219
2-(5-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 103048641

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine (CID 103048488) is 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1F)c1ccc(C)c(F)c1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The InChIKey is AMKYTAAFAZVXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-10-3-4-11(8-15(10)19)16(20-2)9-12-7-13(17)5-6-14(12)18/h3-8,16,20H,9H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-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-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 103048488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).