[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine

C14H13F2NO2 — CID 81299926

IUPAC[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H13F2NO2/c1-18-12-3-2-9(8-17)14(7-12)19-13-5-10(15)4-11(16)6-13/h2-7H,8,17H2,1H3
InChIKeyWJSSEOQUFUCRPT-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.22
Rot. Bonds4

About [2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine

[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine (PubChem CID 81299926) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is [2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
PubChem CID81299926
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H13F2NO2/c1-18-12-3-2-9(8-17)14(7-12)19-13-5-10(15)4-11(16)6-13/h2-7H,8,17H2,1H3
InChIKeyWJSSEOQUFUCRPT-UHFFFAOYSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-fluoro-2-methylphenoxy)-4-methoxyphenyl]methanamine
CID 102980112
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924
(4-methoxy-2-pyridin-3-yloxyphenyl)methanamine
CID 81299641
[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 81322221
[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine
CID 81298813
[2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine
CID 107663612
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
CID 107926515
[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
CID 62306766
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
[4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
CID 106596411
[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 61267594

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine?
The IUPAC name of [2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine (CID 81299926) is [2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine is COc1ccc(CN)c(Oc2cc(F)cc(F)c2)c1.
What is the InChIKey of [2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine?
The InChIKey is WJSSEOQUFUCRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-18-12-3-2-9(8-17)14(7-12)19-13-5-10(15)4-11(16)6-13/h2-7H,8,17H2,1H3.
What are the key properties of [2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine?
[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine has a molecular weight of 265.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 81299926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).