1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine

C16H17F2NO — CID 107169524

IUPAC1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1Oc1ccc(C)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-10-4-6-13(9-15(10)18)20-16-7-5-12(17)8-14(16)11(2)19-3/h4-9,11,19H,1-3H3
InChIKeyATPTUIJFDLQRHF-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.35
Rot. Bonds4

About 1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine

1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine (PubChem CID 107169524) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine
PubChem CID107169524
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1Oc1ccc(C)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-10-4-6-13(9-15(10)18)20-16-7-5-12(17)8-14(16)11(2)19-3/h4-9,11,19H,1-3H3
InChIKeyATPTUIJFDLQRHF-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine
CID 43286017
1-[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]-N-methylethanamine
CID 43284922
1-[2-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylethanamine
CID 43285261
4-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-2-fluorobenzonitrile
CID 82955138
(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169557
N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285523
3-fluoro-4-[4-fluoro-2-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 107665492
N-[[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107169870
(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol
CID 107169699
(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
CID 83141129
1-(5-fluoro-2-pentoxyphenyl)-N-methylethanamine
CID 43286049
1-[2-(2-butoxyethoxy)-5-fluorophenyl]-N-methylethanamine
CID 43285770

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine (CID 107169524) is 1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine is CNC(C)c1cc(F)ccc1Oc1ccc(C)c(F)c1.
What is the InChIKey of 1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine?
The InChIKey is ATPTUIJFDLQRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-4-6-13(9-15(10)18)20-16-7-5-12(17)8-14(16)11(2)19-3/h4-9,11,19H,1-3H3.
What are the key properties of 1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine?
1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine has a molecular weight of 277.31 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 107169524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).