2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine

C15H14ClF2NO — CID 105143748

IUPAC2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine
SMILESCNC(COc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H14ClF2NO/c1-19-15(13-7-4-11(17)8-14(13)18)9-20-12-5-2-10(16)3-6-12/h2-8,15,19H,9H2,1H3
InChIKeyJPULJAZGEQNCNF-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.96
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine

2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine (PubChem CID 105143748) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine
PubChem CID105143748
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine
SMILESCNC(COc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H14ClF2NO/c1-19-15(13-7-4-11(17)8-14(13)18)9-20-12-5-2-10(16)3-6-12/h2-8,15,19H,9H2,1H3
InChIKeyJPULJAZGEQNCNF-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 103397391
2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 105143838
2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 105143051
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 105142711
N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine
CID 62800553
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43484135
1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064661
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 43482863
1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 62802366
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine (CID 105143748) is 2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine is CNC(COc1ccc(Cl)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine?
The InChIKey is JPULJAZGEQNCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-19-15(13-7-4-11(17)8-14(13)18)9-20-12-5-2-10(16)3-6-12/h2-8,15,19H,9H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine?
2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine has a molecular weight of 297.73 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 105143748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).