4-methoxy-2-(pyridin-4-ylmethyl)aniline

C13H14N2O — CID 105467827

IUPAC4-methoxy-2-(pyridin-4-ylmethyl)aniline
SMILESCOc1ccc(N)c(Cc2ccncc2)c1
InChIInChI=1S/C13H14N2O/c1-16-12-2-3-13(14)11(9-12)8-10-4-6-15-7-5-10/h2-7,9H,8,14H2,1H3
InChIKeyVNYSCLYORUXAHY-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.26
Rot. Bonds3

About 4-methoxy-2-(pyridin-4-ylmethyl)aniline

4-methoxy-2-(pyridin-4-ylmethyl)aniline (PubChem CID 105467827) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-methoxy-2-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-methoxy-2-(pyridin-4-ylmethyl)aniline
PubChem CID105467827
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-methoxy-2-(pyridin-4-ylmethyl)aniline
SMILESCOc1ccc(N)c(Cc2ccncc2)c1
InChIInChI=1S/C13H14N2O/c1-16-12-2-3-13(14)11(9-12)8-10-4-6-15-7-5-10/h2-7,9H,8,14H2,1H3
InChIKeyVNYSCLYORUXAHY-UHFFFAOYSA-N
XLogP2.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(1H-pyrazol-4-ylmethyl)aniline
CID 105455338
1-methoxy-4-[4-(4-methoxyphenyl)buta-1,3-dienyl]benzene;4-methoxy-2-[(4-methoxyphenyl)methyl]aniline
CID 173452829
4-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 105489347
3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine
CID 65325978
2-benzyl-5-methoxyaniline;ethane
CID 142463807
N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 63258916
4-[(2,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 39359260
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 81299898
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 4-methoxy-2-(pyridin-4-ylmethyl)aniline (CID 105467827) is 4-methoxy-2-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 4-methoxy-2-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 4-methoxy-2-(pyridin-4-ylmethyl)aniline is COc1ccc(N)c(Cc2ccncc2)c1.
What is the InChIKey of 4-methoxy-2-(pyridin-4-ylmethyl)aniline?
The InChIKey is VNYSCLYORUXAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-16-12-2-3-13(14)11(9-12)8-10-4-6-15-7-5-10/h2-7,9H,8,14H2,1H3.
What are the key properties of 4-methoxy-2-(pyridin-4-ylmethyl)aniline?
4-methoxy-2-(pyridin-4-ylmethyl)aniline has a molecular weight of 214.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 105467827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).