[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine

C16H18FNO3 — CID 43332360

IUPAC[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(COc2cc(CN)ccc2OC)cc1F
InChIInChI=1S/C16H18FNO3/c1-19-14-5-4-12(7-13(14)17)10-21-16-8-11(9-18)3-6-15(16)20-2/h3-8H,9-10,18H2,1-2H3
InChIKeyRVPUPZGIVMZVIO-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.88
Rot. Bonds6

About [3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine

[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine (PubChem CID 43332360) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is [3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
PubChem CID43332360
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(COc2cc(CN)ccc2OC)cc1F
InChIInChI=1S/C16H18FNO3/c1-19-14-5-4-12(7-13(14)17)10-21-16-8-11(9-18)3-6-15(16)20-2/h3-8H,9-10,18H2,1-2H3
InChIKeyRVPUPZGIVMZVIO-UHFFFAOYSA-N
XLogP2.88
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
[3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 79705064
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 114847771
[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102876040
[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
CID 28973773
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
2-[5-bromo-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60905993

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine (CID 43332360) is [3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine is COc1ccc(COc2cc(CN)ccc2OC)cc1F.
What is the InChIKey of [3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine?
The InChIKey is RVPUPZGIVMZVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-19-14-5-4-12(7-13(14)17)10-21-16-8-11(9-18)3-6-15(16)20-2/h3-8H,9-10,18H2,1-2H3.
What are the key properties of [3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine?
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine has a molecular weight of 291.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 43332360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).