1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine

C16H18FNO2 — CID 63986975

IUPAC1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
SMILESCOCc1cccc(Oc2cccc(F)c2C(C)N)c1
InChIInChI=1S/C16H18FNO2/c1-11(18)16-14(17)7-4-8-15(16)20-13-6-3-5-12(9-13)10-19-2/h3-9,11H,10,18H2,1-2H3
InChIKeyFDQGVNRGYGCNCE-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.78
Rot. Bonds5

About 1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine

1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine (PubChem CID 63986975) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
PubChem CID63986975
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
SMILESCOCc1cccc(Oc2cccc(F)c2C(C)N)c1
InChIInChI=1S/C16H18FNO2/c1-11(18)16-14(17)7-4-8-15(16)20-13-6-3-5-12(9-13)10-19-2/h3-9,11H,10,18H2,1-2H3
InChIKeyFDQGVNRGYGCNCE-UHFFFAOYSA-N
XLogP3.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43188969
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109317
(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
CID 30058518
2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79517922
2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79523185
(1R)-1-[2-(3-chloro-4-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 63879513
(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
CID 63369876
[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
CID 78938263
5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline
CID 107259906

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine (CID 63986975) is 1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine is COCc1cccc(Oc2cccc(F)c2C(C)N)c1.
What is the InChIKey of 1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine?
The InChIKey is FDQGVNRGYGCNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(18)16-14(17)7-4-8-15(16)20-13-6-3-5-12(9-13)10-19-2/h3-9,11H,10,18H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine?
1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine is sourced from PubChem (CID 63986975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).