[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine

C15H16FNO — CID 28966023

IUPAC[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN)cc2F)c(C)c1
InChIInChI=1S/C15H16FNO/c1-10-3-5-14(11(2)7-10)18-15-6-4-12(9-17)8-13(15)16/h3-8H,9,17H2,1-2H3
InChIKeyOCYLWYRLTKNMCK-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.69
Rot. Bonds3

About [4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine

[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine (PubChem CID 28966023) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is [4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
PubChem CID28966023
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN)cc2F)c(C)c1
InChIInChI=1S/C15H16FNO/c1-10-3-5-14(11(2)7-10)18-15-6-4-12(9-17)8-13(15)16/h3-8H,9,17H2,1-2H3
InChIKeyOCYLWYRLTKNMCK-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

[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
CID 82797229
[3-fluoro-4-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 61031147
[3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 63457064
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
CID 28966043
[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine
CID 114417368
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
CID 63456904
[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
CID 114016683
2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene
CID 64856384
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine (CID 28966023) is [4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine is Cc1ccc(Oc2ccc(CN)cc2F)c(C)c1.
What is the InChIKey of [4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine?
The InChIKey is OCYLWYRLTKNMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-3-5-14(11(2)7-10)18-15-6-4-12(9-17)8-13(15)16/h3-8H,9,17H2,1-2H3.
What are the key properties of [4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine?
[4-(2,4-dimethylphenoxy)-3-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 [4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine is sourced from PubChem (CID 28966023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).