4-(pyridin-2-ylmethoxy)aniline

C12H12N2O — CID 10442773

IUPAC4-(pyridin-2-ylmethoxy)aniline
SMILESNc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C12H12N2O/c13-10-4-6-12(7-5-10)15-9-11-3-1-2-8-14-11/h1-8H,9,13H2
InChIKeyCGWMMQFGQVDRII-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.24
Rot. Bonds3

About 4-(pyridin-2-ylmethoxy)aniline

4-(pyridin-2-ylmethoxy)aniline (PubChem CID 10442773) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethoxy)aniline.

Molecular Properties

Compound Name4-(pyridin-2-ylmethoxy)aniline
PubChem CID10442773
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-(pyridin-2-ylmethoxy)aniline
SMILESNc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C12H12N2O/c13-10-4-6-12(7-5-10)15-9-11-3-1-2-8-14-11/h1-8H,9,13H2
InChIKeyCGWMMQFGQVDRII-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethoxy)aniline?
The IUPAC name of 4-(pyridin-2-ylmethoxy)aniline (CID 10442773) is 4-(pyridin-2-ylmethoxy)aniline.
What is the SMILES notation for 4-(pyridin-2-ylmethoxy)aniline?
The canonical SMILES for 4-(pyridin-2-ylmethoxy)aniline is Nc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 4-(pyridin-2-ylmethoxy)aniline?
The InChIKey is CGWMMQFGQVDRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-10-4-6-12(7-5-10)15-9-11-3-1-2-8-14-11/h1-8H,9,13H2.
What are the key properties of 4-(pyridin-2-ylmethoxy)aniline?
4-(pyridin-2-ylmethoxy)aniline 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 4-(pyridin-2-ylmethoxy)aniline is sourced from PubChem (CID 10442773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).