[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine

C15H16FNO — CID 79516549

IUPAC[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
SMILESCc1ccc(C)c(Oc2cccc(F)c2CN)c1
InChIInChI=1S/C15H16FNO/c1-10-6-7-11(2)15(8-10)18-14-5-3-4-13(16)12(14)9-17/h3-8H,9,17H2,1-2H3
InChIKeyOYMDXNXLILGRAX-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.69
Rot. Bonds3

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

[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine (PubChem CID 79516549) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is [2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
PubChem CID79516549
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
SMILESCc1ccc(C)c(Oc2cccc(F)c2CN)c1
InChIInChI=1S/C15H16FNO/c1-10-6-7-11(2)15(8-10)18-14-5-3-4-13(16)12(14)9-17/h3-8H,9,17H2,1-2H3
InChIKeyOYMDXNXLILGRAX-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]methanamine
CID 107283243
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
2-(2,5-dimethylphenoxy)-6-fluoroaniline
CID 54920394
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
2-(2,5-dimethylphenoxy)-6-fluorobenzoic acid
CID 79511660
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine
CID 79517647
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
[2-(2-bromophenoxy)-6-fluorophenyl]methanamine
CID 79517645
[2-(2,5-dimethylphenoxy)-3-methylphenyl]methanamine
CID 107105904

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine?
The IUPAC name of [2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine (CID 79516549) is [2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine?
The canonical SMILES for [2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine is Cc1ccc(C)c(Oc2cccc(F)c2CN)c1.
What is the InChIKey of [2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine?
The InChIKey is OYMDXNXLILGRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-6-7-11(2)15(8-10)18-14-5-3-4-13(16)12(14)9-17/h3-8H,9,17H2,1-2H3.
What are the key properties of [2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine?
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine has a molecular weight of 245.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine is sourced from PubChem (CID 79516549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).