[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine

C15H14F3NO — CID 43331214

IUPAC[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1cccc(Oc2ccc(C(F)(F)F)cc2CN)c1
InChIInChI=1S/C15H14F3NO/c1-10-3-2-4-13(7-10)20-14-6-5-12(15(16,17)18)8-11(14)9-19/h2-8H,9,19H2,1H3
InChIKeyCLQZZDBRYVVOFU-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.26
Rot. Bonds3

About [2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine

[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 43331214) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is [2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
PubChem CID43331214
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1cccc(Oc2ccc(C(F)(F)F)cc2CN)c1
InChIInChI=1S/C15H14F3NO/c1-10-3-2-4-13(7-10)20-14-6-5-12(15(16,17)18)8-11(14)9-19/h2-8H,9,19H2,1H3
InChIKeyCLQZZDBRYVVOFU-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 63673150
[2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43528674
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
[2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43528602
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
CID 107926515
[2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine
CID 61245087
[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43153637
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
[2-butoxy-5-(trifluoromethyl)phenyl]methanamine
CID 43267438
2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
CID 63986344
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine (CID 43331214) is [2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine is Cc1cccc(Oc2ccc(C(F)(F)F)cc2CN)c1.
What is the InChIKey of [2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is CLQZZDBRYVVOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-10-3-2-4-13(7-10)20-14-6-5-12(15(16,17)18)8-11(14)9-19/h2-8H,9,19H2,1H3.
What are the key properties of [2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine?
[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 281.28 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43331214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).