[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine

C15H16FNO3 — CID 79517647

IUPAC[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine
SMILESCOc1cc(OC)cc(Oc2cccc(F)c2CN)c1
InChIInChI=1S/C15H16FNO3/c1-18-10-6-11(19-2)8-12(7-10)20-15-5-3-4-14(16)13(15)9-17/h3-8H,9,17H2,1-2H3
InChIKeyPNQRPIZVYKAULI-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.09
Rot. Bonds5

About [2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine

[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine (PubChem CID 79517647) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is [2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine
PubChem CID79517647
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine
SMILESCOc1cc(OC)cc(Oc2cccc(F)c2CN)c1
InChIInChI=1S/C15H16FNO3/c1-18-10-6-11(19-2)8-12(7-10)20-15-5-3-4-14(16)13(15)9-17/h3-8H,9,17H2,1-2H3
InChIKeyPNQRPIZVYKAULI-UHFFFAOYSA-N
XLogP3.09
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
[2-fluoro-6-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 82891847
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 79517236
[2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 79517826
N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline
CID 23848155
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549
[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 79516558
(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
CID 162342560
[2-(2-bromophenoxy)-6-fluorophenyl]methanamine
CID 79517645
[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine
CID 107283243

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine?
The IUPAC name of [2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine (CID 79517647) is [2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine?
The canonical SMILES for [2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine is COc1cc(OC)cc(Oc2cccc(F)c2CN)c1.
What is the InChIKey of [2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine?
The InChIKey is PNQRPIZVYKAULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-18-10-6-11(19-2)8-12(7-10)20-15-5-3-4-14(16)13(15)9-17/h3-8H,9,17H2,1-2H3.
What are the key properties of [2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine?
[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine has a molecular weight of 277.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine is sourced from PubChem (CID 79517647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).