3-methoxy-5-pyridin-4-ylaniline

C12H12N2O — CID 71490877

IUPAC3-methoxy-5-pyridin-4-ylaniline
SMILESCOc1cc(N)cc(-c2ccncc2)c1
InChIInChI=1S/C12H12N2O/c1-15-12-7-10(6-11(13)8-12)9-2-4-14-5-3-9/h2-8H,13H2,1H3
InChIKeyXKQQGPIBSPUIAZ-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.34
Rot. Bonds2

About 3-methoxy-5-pyridin-4-ylaniline

3-methoxy-5-pyridin-4-ylaniline (PubChem CID 71490877) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-methoxy-5-pyridin-4-ylaniline.

Molecular Properties

Compound Name3-methoxy-5-pyridin-4-ylaniline
PubChem CID71490877
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-methoxy-5-pyridin-4-ylaniline
SMILESCOc1cc(N)cc(-c2ccncc2)c1
InChIInChI=1S/C12H12N2O/c1-15-12-7-10(6-11(13)8-12)9-2-4-14-5-3-9/h2-8H,13H2,1H3
InChIKeyXKQQGPIBSPUIAZ-UHFFFAOYSA-N
XLogP2.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.34
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

1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 80730531
5-methoxy-3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
CID 80723413
3-pyridin-4-yl-5-(trifluoromethyl)aniline
CID 46317180
pyridin-4-ylmethyl 3-amino-5-methoxybenzoate
CID 81091463
5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
CID 80730242
5-(3-fluoro-5-methoxyphenyl)pyridin-3-amine
CID 168655350
3-(2,5-difluorophenyl)-5-methoxyaniline
CID 156592012
4-(3,5-dimethoxyphenoxy)pyridine
CID 90751053
3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 81089949
1,3-dimethoxy-5-phenylbenzene
CID 11469945
3-(2-methoxyethoxy)-5-(2-methyl-4-pyridinyl)aniline
CID 172651452

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-pyridin-4-ylaniline?
The IUPAC name of 3-methoxy-5-pyridin-4-ylaniline (CID 71490877) is 3-methoxy-5-pyridin-4-ylaniline.
What is the SMILES notation for 3-methoxy-5-pyridin-4-ylaniline?
The canonical SMILES for 3-methoxy-5-pyridin-4-ylaniline is COc1cc(N)cc(-c2ccncc2)c1.
What is the InChIKey of 3-methoxy-5-pyridin-4-ylaniline?
The InChIKey is XKQQGPIBSPUIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-15-12-7-10(6-11(13)8-12)9-2-4-14-5-3-9/h2-8H,13H2,1H3.
What are the key properties of 3-methoxy-5-pyridin-4-ylaniline?
3-methoxy-5-pyridin-4-ylaniline has a molecular weight of 200.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-pyridin-4-ylaniline is sourced from PubChem (CID 71490877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).