1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine

C17H20FNO2 — CID 63064797

IUPAC1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1OCc1ccccc1OC
InChIInChI=1S/C17H20FNO2/c1-12(19-2)15-9-8-14(18)10-17(15)21-11-13-6-4-5-7-16(13)20-3/h4-10,12,19H,11H2,1-3H3
InChIKeyGBPXNXVINKEYJY-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.69
Rot. Bonds6

About 1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine

1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 63064797) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID63064797
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1OCc1ccccc1OC
InChIInChI=1S/C17H20FNO2/c1-12(19-2)15-9-8-14(18)10-17(15)21-11-13-6-4-5-7-16(13)20-3/h4-10,12,19H,11H2,1-3H3
InChIKeyGBPXNXVINKEYJY-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 104791282
1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 105370352
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 82975373
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
CID 63065355
1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine
CID 63487243
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 63638938
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 79698106
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539
1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 63640460
1-[2-[(4-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 107879395
1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
CID 63485682
1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylethanamine
CID 63064107

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine (CID 63064797) is 1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(F)cc1OCc1ccccc1OC.
What is the InChIKey of 1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is GBPXNXVINKEYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(19-2)15-9-8-14(18)10-17(15)21-11-13-6-4-5-7-16(13)20-3/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine?
1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 63064797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).