[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine

C13H11F3N2O — CID 16774585

IUPAC[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
SMILESNCc1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-4-5-12(18-8-10)19-11-3-1-2-9(6-11)7-17/h1-6,8H,7,17H2
InChIKeyIULASCFFWNZDLM-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.35
Rot. Bonds3

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

[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine (PubChem CID 16774585) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is [3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
PubChem CID16774585
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
SMILESNCc1cccc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-4-5-12(18-8-10)19-11-3-1-2-9(6-11)7-17/h1-6,8H,7,17H2
InChIKeyIULASCFFWNZDLM-UHFFFAOYSA-N
XLogP3.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]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

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The IUPAC name of [3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine (CID 16774585) is [3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine.
What is the SMILES notation for [3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The canonical SMILES for [3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine is NCc1cccc(Oc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of [3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
The InChIKey is IULASCFFWNZDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)10-4-5-12(18-8-10)19-11-3-1-2-9(6-11)7-17/h1-6,8H,7,17H2.
What are the key properties of [3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine?
[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine has a molecular weight of 268.24 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine is sourced from PubChem (CID 16774585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).