6-phenylmethoxypyridin-3-amine

C12H12N2O — CID 563286

IUPAC6-phenylmethoxypyridin-3-amine
SMILESNc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C12H12N2O/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9,13H2
InChIKeyCDCFXBSOKSIQPU-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.24
Rot. Bonds3

About 6-phenylmethoxypyridin-3-amine

6-phenylmethoxypyridin-3-amine (PubChem CID 563286) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-phenylmethoxypyridin-3-amine.

Molecular Properties

Compound Name6-phenylmethoxypyridin-3-amine
PubChem CID563286
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name6-phenylmethoxypyridin-3-amine
SMILESNc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C12H12N2O/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9,13H2
InChIKeyCDCFXBSOKSIQPU-UHFFFAOYSA-N
XLogP2.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxypyridin-3-amine?
The IUPAC name of 6-phenylmethoxypyridin-3-amine (CID 563286) is 6-phenylmethoxypyridin-3-amine.
What is the SMILES notation for 6-phenylmethoxypyridin-3-amine?
The canonical SMILES for 6-phenylmethoxypyridin-3-amine is Nc1ccc(OCc2ccccc2)nc1.
What is the InChIKey of 6-phenylmethoxypyridin-3-amine?
The InChIKey is CDCFXBSOKSIQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9,13H2.
What are the key properties of 6-phenylmethoxypyridin-3-amine?
6-phenylmethoxypyridin-3-amine has a molecular weight of 200.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxypyridin-3-amine is sourced from PubChem (CID 563286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).