[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine

C14H13F2NO — CID 114016683

IUPAC[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
SMILESCc1ccc(Oc2ccc(F)cc2F)c(CN)c1
InChIInChI=1S/C14H13F2NO/c1-9-2-4-13(10(6-9)8-17)18-14-5-3-11(15)7-12(14)16/h2-7H,8,17H2,1H3
InChIKeyCMEASCYDINIZEO-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.52
Rot. Bonds3

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

[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine (PubChem CID 114016683) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is [2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
PubChem CID114016683
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
SMILESCc1ccc(Oc2ccc(F)cc2F)c(CN)c1
InChIInChI=1S/C14H13F2NO/c1-9-2-4-13(10(6-9)8-17)18-14-5-3-11(15)7-12(14)16/h2-7H,8,17H2,1H3
InChIKeyCMEASCYDINIZEO-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

1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene
CID 114054766
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
CID 107926515
2-(2,4-difluorophenoxy)-4-methylaniline
CID 10105468
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81254597
[5-fluoro-2-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 43314321
[2-(2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926487
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488
2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol
CID 107926570
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine?
The IUPAC name of [2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine (CID 114016683) is [2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine.
What is the SMILES notation for [2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine?
The canonical SMILES for [2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine is Cc1ccc(Oc2ccc(F)cc2F)c(CN)c1.
What is the InChIKey of [2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine?
The InChIKey is CMEASCYDINIZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-2-4-13(10(6-9)8-17)18-14-5-3-11(15)7-12(14)16/h2-7H,8,17H2,1H3.
What are the key properties of [2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine?
[2-(2,4-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-(2,4-difluorophenoxy)-5-methylphenyl]methanamine is sourced from PubChem (CID 114016683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).