1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine

C17H20FNO2 — CID 104791282

IUPAC1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1OCc1cccc(OC)c1F
InChIInChI=1S/C17H20FNO2/c1-12(19-2)14-8-4-5-9-15(14)21-11-13-7-6-10-16(20-3)17(13)18/h4-10,12,19H,11H2,1-3H3
InChIKeyKDIVRISFSPJQRX-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.69
Rot. Bonds6

About 1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine

1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 104791282) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID104791282
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1OCc1cccc(OC)c1F
InChIInChI=1S/C17H20FNO2/c1-12(19-2)14-8-4-5-9-15(14)21-11-13-7-6-10-16(20-3)17(13)18/h4-10,12,19H,11H2,1-3H3
InChIKeyKDIVRISFSPJQRX-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-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 63064797
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol
CID 104792501
1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 63640460
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 62895682
N-methyl-1-[2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 43279574
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81396656
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791978
1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 102856269
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 104791273

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine (CID 104791282) is 1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1ccccc1OCc1cccc(OC)c1F.
What is the InChIKey of 1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is KDIVRISFSPJQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(19-2)14-8-4-5-9-15(14)21-11-13-7-6-10-16(20-3)17(13)18/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine?
1-[2-[(2-fluoro-3-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-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 104791282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).