1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine

C15H15F2NO — CID 63036952

IUPAC1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccc(F)c2F)cc1
InChIInChI=1S/C15H15F2NO/c1-10(18-2)11-6-8-12(9-7-11)19-14-5-3-4-13(16)15(14)17/h3-10,18H,1-2H3
InChIKeyAIQCXIBOJVFWLL-UHFFFAOYSA-N
MW263.29 g/mol
LogP4.04
Rot. Bonds4

About 1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine

1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine (PubChem CID 63036952) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine
PubChem CID63036952
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccc(F)c2F)cc1
InChIInChI=1S/C15H15F2NO/c1-10(18-2)11-6-8-12(9-7-11)19-14-5-3-4-13(16)15(14)17/h3-10,18H,1-2H3
InChIKeyAIQCXIBOJVFWLL-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 43609103
1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83123940
1-[2-fluoro-6-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285104
1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285412
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine
CID 43554825
1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine
CID 63802336
1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113
1-[4-(2,5-dichlorophenoxy)phenyl]-N-methylethanamine
CID 43285303
N-methyl-1-[4-(3-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 61037983
N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285398

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine (CID 63036952) is 1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(Oc2cccc(F)c2F)cc1.
What is the InChIKey of 1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine?
The InChIKey is AIQCXIBOJVFWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10(18-2)11-6-8-12(9-7-11)19-14-5-3-4-13(16)15(14)17/h3-10,18H,1-2H3.
What are the key properties of 1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine?
1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine has a molecular weight of 263.29 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 63036952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).