3-[(4-methoxyphenyl)methoxy]pyridin-2-amine

C13H14N2O2 — CID 2728389

IUPAC3-[(4-methoxyphenyl)methoxy]pyridin-2-amine
SMILESCOc1ccc(COc2cccnc2N)cc1
InChIInChI=1S/C13H14N2O2/c1-16-11-6-4-10(5-7-11)9-17-12-3-2-8-15-13(12)14/h2-8H,9H2,1H3,(H2,14,15)
InChIKeyLVATUHXCUVGRKS-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.25
Rot. Bonds4

About 3-[(4-methoxyphenyl)methoxy]pyridin-2-amine

3-[(4-methoxyphenyl)methoxy]pyridin-2-amine (PubChem CID 2728389) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]pyridin-2-amine
PubChem CID2728389
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-[(4-methoxyphenyl)methoxy]pyridin-2-amine
SMILESCOc1ccc(COc2cccnc2N)cc1
InChIInChI=1S/C13H14N2O2/c1-16-11-6-4-10(5-7-11)9-17-12-3-2-8-15-13(12)14/h2-8H,9H2,1H3,(H2,14,15)
InChIKeyLVATUHXCUVGRKS-UHFFFAOYSA-N
XLogP2.25
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-methoxyphenyl)methoxy]pyridin-2-amine?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]pyridin-2-amine (CID 2728389) is 3-[(4-methoxyphenyl)methoxy]pyridin-2-amine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]pyridin-2-amine?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]pyridin-2-amine is COc1ccc(COc2cccnc2N)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]pyridin-2-amine?
The InChIKey is LVATUHXCUVGRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-16-11-6-4-10(5-7-11)9-17-12-3-2-8-15-13(12)14/h2-8H,9H2,1H3,(H2,14,15).
What are the key properties of 3-[(4-methoxyphenyl)methoxy]pyridin-2-amine?
3-[(4-methoxyphenyl)methoxy]pyridin-2-amine has a molecular weight of 230.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 2728389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).