3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine

C13H11F3N2O — CID 1485767

IUPAC3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-4-1-3-9(7-10)8-19-11-5-2-6-18-12(11)17/h1-7H,8H2,(H2,17,18)
InChIKeyAEKGHWHESMVQCL-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.26
Rot. Bonds3

About 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine

3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine (PubChem CID 1485767) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
PubChem CID1485767
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-4-1-3-9(7-10)8-19-11-5-2-6-18-12(11)17/h1-7H,8H2,(H2,17,18)
InChIKeyAEKGHWHESMVQCL-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine (CID 1485767) is 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine is Nc1ncccc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine?
The InChIKey is AEKGHWHESMVQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)10-4-1-3-9(7-10)8-19-11-5-2-6-18-12(11)17/h1-7H,8H2,(H2,17,18).
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine?
3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine has a molecular weight of 268.24 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine is sourced from PubChem (CID 1485767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).