[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine

C14H13F2NO — CID 63077354

IUPAC[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine
SMILESCc1ccc(Oc2c(F)cc(CN)cc2F)cc1
InChIInChI=1S/C14H13F2NO/c1-9-2-4-11(5-3-9)18-14-12(15)6-10(8-17)7-13(14)16/h2-7H,8,17H2,1H3
InChIKeyHYLSLYXJNVJMAU-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.52
Rot. Bonds3

About [3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine

[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine (PubChem CID 63077354) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is [3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine
PubChem CID63077354
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine
SMILESCc1ccc(Oc2c(F)cc(CN)cc2F)cc1
InChIInChI=1S/C14H13F2NO/c1-9-2-4-11(5-3-9)18-14-12(15)6-10(8-17)7-13(14)16/h2-7H,8,17H2,1H3
InChIKeyHYLSLYXJNVJMAU-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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Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine (CID 63077354) is [3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine is Cc1ccc(Oc2c(F)cc(CN)cc2F)cc1.
What is the InChIKey of [3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine?
The InChIKey is HYLSLYXJNVJMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-2-4-11(5-3-9)18-14-12(15)6-10(8-17)7-13(14)16/h2-7H,8,17H2,1H3.
What are the key properties of [3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine?
[3,5-difluoro-4-(4-methylphenoxy)phenyl]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 [3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine is sourced from PubChem (CID 63077354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).