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

C15H16FNO3 — CID 43589964

IUPAC[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
SMILESCOc1cc(OC)cc(Oc2ccc(F)cc2CN)c1
InChIInChI=1S/C15H16FNO3/c1-18-12-6-13(19-2)8-14(7-12)20-15-4-3-11(16)5-10(15)9-17/h3-8H,9,17H2,1-2H3
InChIKeyQVWYPHOEZXIUTE-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.09
Rot. Bonds5

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

[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine (PubChem CID 43589964) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is [2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
PubChem CID43589964
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
SMILESCOc1cc(OC)cc(Oc2ccc(F)cc2CN)c1
InChIInChI=1S/C15H16FNO3/c1-18-12-6-13(19-2)8-14(7-12)20-15-4-3-11(16)5-10(15)9-17/h3-8H,9,17H2,1-2H3
InChIKeyQVWYPHOEZXIUTE-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

(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373
[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 55031409
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
CID 107926515
[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine
CID 79517647
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
CID 115492190
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 63675108
[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
CID 81299926
[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 63673150
[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine
CID 43314084

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine (CID 43589964) is [2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine is COc1cc(OC)cc(Oc2ccc(F)cc2CN)c1.
What is the InChIKey of [2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine?
The InChIKey is QVWYPHOEZXIUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-18-12-6-13(19-2)8-14(7-12)20-15-4-3-11(16)5-10(15)9-17/h3-8H,9,17H2,1-2H3.
What are the key properties of [2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine?
[2-(3,5-dimethoxyphenoxy)-5-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)-5-fluorophenyl]methanamine is sourced from PubChem (CID 43589964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).