1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine

C16H18FNO2 — CID 43188969

IUPAC1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1cccc(COc2cccc(F)c2C(C)N)c1
InChIInChI=1S/C16H18FNO2/c1-11(18)16-14(17)7-4-8-15(16)20-10-12-5-3-6-13(9-12)19-2/h3-9,11H,10,18H2,1-2H3
InChIKeyMAUAEJDCRMUWAW-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.43
Rot. Bonds5

About 1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine

1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine (PubChem CID 43188969) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
PubChem CID43188969
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCOc1cccc(COc2cccc(F)c2C(C)N)c1
InChIInChI=1S/C16H18FNO2/c1-11(18)16-14(17)7-4-8-15(16)20-10-12-5-3-6-13(9-12)19-2/h3-9,11H,10,18H2,1-2H3
InChIKeyMAUAEJDCRMUWAW-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975
1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823693
(1S)-1-[2-[(4-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823809
(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107718291
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
2-(1-aminoethyl)-3-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 61417784
1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 115958705
1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
CID 60627362
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
(1S)-1-[2-fluoro-6-(3-phenylpropoxy)phenyl]ethanamine
CID 78938385
4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline
CID 66100157
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine (CID 43188969) is 1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine is COc1cccc(COc2cccc(F)c2C(C)N)c1.
What is the InChIKey of 1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine?
The InChIKey is MAUAEJDCRMUWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(18)16-14(17)7-4-8-15(16)20-10-12-5-3-6-13(9-12)19-2/h3-9,11H,10,18H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine?
1-[2-fluoro-6-[(3-methoxyphenyl)methoxy]phenyl]ethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.43, 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-methoxyphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 43188969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).