1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine

C15H14ClF2NO — CID 60966128

IUPAC1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(19-2)10-3-5-15(13(18)7-10)20-14-6-4-11(17)8-12(14)16/h3-9,19H,1-2H3
InChIKeyMIQVVIZYIUXHBN-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.69
Rot. Bonds4

About 1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine

1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine (PubChem CID 60966128) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine
PubChem CID60966128
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(19-2)10-3-5-15(13(18)7-10)20-14-6-4-11(17)8-12(14)16/h3-9,19H,1-2H3
InChIKeyMIQVVIZYIUXHBN-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-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

1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine
CID 63269825
1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]-N-methylethanamine
CID 107099972
1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285262
1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine
CID 63878644
1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285582
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine
CID 82540185
1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine
CID 61032294
1-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 114345847
1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 43285499

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine (CID 60966128) is 1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(Oc2ccc(F)cc2Cl)c(F)c1.
What is the InChIKey of 1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine?
The InChIKey is MIQVVIZYIUXHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9(19-2)10-3-5-15(13(18)7-10)20-14-6-4-11(17)8-12(14)16/h3-9,19H,1-2H3.
What are the key properties of 1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine?
1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine has a molecular weight of 297.73 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 60966128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).