1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine

C15H13ClF3N — CID 105406219

IUPAC1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C15H13ClF3N/c1-20-14(12-3-2-4-13(16)15(12)19)7-9-5-10(17)8-11(18)6-9/h2-6,8,14,20H,7H2,1H3
InChIKeyNMUBPQDKABDFBI-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.26
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine

1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine (PubChem CID 105406219) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
PubChem CID105406219
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(F)c1)c1cccc(Cl)c1F
InChIInChI=1S/C15H13ClF3N/c1-20-14(12-3-2-4-13(16)15(12)19)7-9-5-10(17)8-11(18)6-9/h2-6,8,14,20H,7H2,1H3
InChIKeyNMUBPQDKABDFBI-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-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-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 79709381
1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 107103195
2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64713817
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714177
1-(5-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105407144
(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318
2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 112704196
1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412254
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 61063993
1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 107102055
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
[2-(3,5-difluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105413149

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine (CID 105406219) is 1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(F)c1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
The InChIKey is NMUBPQDKABDFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-20-14(12-3-2-4-13(16)15(12)19)7-9-5-10(17)8-11(18)6-9/h2-6,8,14,20H,7H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine?
1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 105406219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).