[3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine

C14H13F2NO — CID 63077891

IUPAC[3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine
SMILESCc1ccccc1Oc1c(F)cc(CN)cc1F
InChIInChI=1S/C14H13F2NO/c1-9-4-2-3-5-13(9)18-14-11(15)6-10(8-17)7-12(14)16/h2-7H,8,17H2,1H3
InChIKeyRFABLDWCAPFVMU-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.52
Rot. Bonds3

About [3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine

[3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine (PubChem CID 63077891) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is [3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine
PubChem CID63077891
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name[3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine
SMILESCc1ccccc1Oc1c(F)cc(CN)cc1F
InChIInChI=1S/C14H13F2NO/c1-9-4-2-3-5-13(9)18-14-11(15)6-10(8-17)7-12(14)16/h2-7H,8,17H2,1H3
InChIKeyRFABLDWCAPFVMU-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

Analyze [3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine
CID 63077707
[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol
CID 63654481
3,5-difluoro-4-(2-methylphenoxy)benzenecarbothioamide
CID 81286479
[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 63077354
[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine
CID 64720890
2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 107286734
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
[4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine
CID 115492195
2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802666
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
1,2,3-tris(2-methylphenoxy)benzene
CID 139940567

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine (CID 63077891) is [3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine is Cc1ccccc1Oc1c(F)cc(CN)cc1F.
What is the InChIKey of [3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine?
The InChIKey is RFABLDWCAPFVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-4-2-3-5-13(9)18-14-11(15)6-10(8-17)7-12(14)16/h2-7H,8,17H2,1H3.
What are the key properties of [3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine?
[3,5-difluoro-4-(2-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-(2-methylphenoxy)phenyl]methanamine is sourced from PubChem (CID 63077891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).