[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine

C14H13F2NO — CID 107926515

IUPAC[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
SMILESCc1ccc(Oc2cc(F)cc(F)c2)c(CN)c1
InChIInChI=1S/C14H13F2NO/c1-9-2-3-14(10(4-9)8-17)18-13-6-11(15)5-12(16)7-13/h2-7H,8,17H2,1H3
InChIKeyQDOHYLTWYLJCRU-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.52
Rot. Bonds3

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

[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine (PubChem CID 107926515) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is [2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
PubChem CID107926515
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
SMILESCc1ccc(Oc2cc(F)cc(F)c2)c(CN)c1
InChIInChI=1S/C14H13F2NO/c1-9-2-3-14(10(4-9)8-17)18-13-6-11(15)5-12(16)7-13/h2-7H,8,17H2,1H3
InChIKeyQDOHYLTWYLJCRU-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
CID 114016683
[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 81322221
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
CID 62306766
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373
[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
CID 81299926
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521
[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine
CID 102814455
[5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
CID 107926547

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine?
The IUPAC name of [2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine (CID 107926515) is [2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine.
What is the SMILES notation for [2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine?
The canonical SMILES for [2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine is Cc1ccc(Oc2cc(F)cc(F)c2)c(CN)c1.
What is the InChIKey of [2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine?
The InChIKey is QDOHYLTWYLJCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-2-3-14(10(4-9)8-17)18-13-6-11(15)5-12(16)7-13/h2-7H,8,17H2,1H3.
What are the key properties of [2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine?
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine has a molecular weight of 249.26 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine is sourced from PubChem (CID 107926515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).