[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine

C15H16FNO — CID 107926537

IUPAC[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
SMILESCc1ccc(Oc2ccc(F)c(C)c2)c(CN)c1
InChIInChI=1S/C15H16FNO/c1-10-3-6-15(12(7-10)9-17)18-13-4-5-14(16)11(2)8-13/h3-8H,9,17H2,1-2H3
InChIKeyYNWQNARHOGEOJC-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.69
Rot. Bonds3

About [2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine

[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine (PubChem CID 107926537) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is [2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
PubChem CID107926537
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
SMILESCc1ccc(Oc2ccc(F)c(C)c2)c(CN)c1
InChIInChI=1S/C15H16FNO/c1-10-3-6-15(12(7-10)9-17)18-13-4-5-14(16)11(2)8-13/h3-8H,9,17H2,1-2H3
InChIKeyYNWQNARHOGEOJC-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-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
CID 107926515
[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
CID 114016683
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
CID 62493344
[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol
CID 114846231
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene
CID 107088974
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
CID 62306766

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine?
The IUPAC name of [2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine (CID 107926537) is [2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine.
What is the SMILES notation for [2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine?
The canonical SMILES for [2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine is Cc1ccc(Oc2ccc(F)c(C)c2)c(CN)c1.
What is the InChIKey of [2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine?
The InChIKey is YNWQNARHOGEOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-3-6-15(12(7-10)9-17)18-13-4-5-14(16)11(2)8-13/h3-8H,9,17H2,1-2H3.
What are the key properties of [2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine?
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]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-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine is sourced from PubChem (CID 107926537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).