2-(2-methoxy-4-pyridinyl)-6-methylaniline

C13H14N2O — CID 165370001

IUPAC2-(2-methoxy-4-pyridinyl)-6-methylaniline
SMILESCOc1cc(-c2cccc(C)c2N)ccn1
InChIInChI=1S/C13H14N2O/c1-9-4-3-5-11(13(9)14)10-6-7-15-12(8-10)16-2/h3-8H,14H2,1-2H3
InChIKeyWJFVRSWRMKIOJU-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.65
Rot. Bonds2

About 2-(2-methoxy-4-pyridinyl)-6-methylaniline

2-(2-methoxy-4-pyridinyl)-6-methylaniline (PubChem CID 165370001) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(2-methoxy-4-pyridinyl)-6-methylaniline.

Molecular Properties

Compound Name2-(2-methoxy-4-pyridinyl)-6-methylaniline
PubChem CID165370001
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(2-methoxy-4-pyridinyl)-6-methylaniline
SMILESCOc1cc(-c2cccc(C)c2N)ccn1
InChIInChI=1S/C13H14N2O/c1-9-4-3-5-11(13(9)14)10-6-7-15-12(8-10)16-2/h3-8H,14H2,1-2H3
InChIKeyWJFVRSWRMKIOJU-UHFFFAOYSA-N
XLogP2.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-pyridinyl)-6-methylaniline?
The IUPAC name of 2-(2-methoxy-4-pyridinyl)-6-methylaniline (CID 165370001) is 2-(2-methoxy-4-pyridinyl)-6-methylaniline.
What is the SMILES notation for 2-(2-methoxy-4-pyridinyl)-6-methylaniline?
The canonical SMILES for 2-(2-methoxy-4-pyridinyl)-6-methylaniline is COc1cc(-c2cccc(C)c2N)ccn1.
What is the InChIKey of 2-(2-methoxy-4-pyridinyl)-6-methylaniline?
The InChIKey is WJFVRSWRMKIOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-4-3-5-11(13(9)14)10-6-7-15-12(8-10)16-2/h3-8H,14H2,1-2H3.
What are the key properties of 2-(2-methoxy-4-pyridinyl)-6-methylaniline?
2-(2-methoxy-4-pyridinyl)-6-methylaniline has a molecular weight of 214.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-pyridinyl)-6-methylaniline is sourced from PubChem (CID 165370001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).