2-methoxy-5-(3-methyl-4-pyridinyl)aniline

C13H14N2O — CID 66278830

IUPAC2-methoxy-5-(3-methyl-4-pyridinyl)aniline
SMILESCOc1ccc(-c2ccncc2C)cc1N
InChIInChI=1S/C13H14N2O/c1-9-8-15-6-5-11(9)10-3-4-13(16-2)12(14)7-10/h3-8H,14H2,1-2H3
InChIKeyTXJVBZIWLZRKMD-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.65
Rot. Bonds2

About 2-methoxy-5-(3-methyl-4-pyridinyl)aniline

2-methoxy-5-(3-methyl-4-pyridinyl)aniline (PubChem CID 66278830) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-methoxy-5-(3-methyl-4-pyridinyl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(3-methyl-4-pyridinyl)aniline
PubChem CID66278830
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-methoxy-5-(3-methyl-4-pyridinyl)aniline
SMILESCOc1ccc(-c2ccncc2C)cc1N
InChIInChI=1S/C13H14N2O/c1-9-8-15-6-5-11(9)10-3-4-13(16-2)12(14)7-10/h3-8H,14H2,1-2H3
InChIKeyTXJVBZIWLZRKMD-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-methoxy-5-(3-methyl-4-pyridinyl)aniline?
The IUPAC name of 2-methoxy-5-(3-methyl-4-pyridinyl)aniline (CID 66278830) is 2-methoxy-5-(3-methyl-4-pyridinyl)aniline.
What is the SMILES notation for 2-methoxy-5-(3-methyl-4-pyridinyl)aniline?
The canonical SMILES for 2-methoxy-5-(3-methyl-4-pyridinyl)aniline is COc1ccc(-c2ccncc2C)cc1N.
What is the InChIKey of 2-methoxy-5-(3-methyl-4-pyridinyl)aniline?
The InChIKey is TXJVBZIWLZRKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-8-15-6-5-11(9)10-3-4-13(16-2)12(14)7-10/h3-8H,14H2,1-2H3.
What are the key properties of 2-methoxy-5-(3-methyl-4-pyridinyl)aniline?
2-methoxy-5-(3-methyl-4-pyridinyl)aniline 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-methoxy-5-(3-methyl-4-pyridinyl)aniline is sourced from PubChem (CID 66278830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).