3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline

C13H14N2O2 — CID 62254600

IUPAC3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline
SMILESCOc1cc(N)ccc1Oc1ncccc1C
InChIInChI=1S/C13H14N2O2/c1-9-4-3-7-15-13(9)17-11-6-5-10(14)8-12(11)16-2/h3-8H,14H2,1-2H3
InChIKeyWBMIOZXYWBDGSZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.77
Rot. Bonds3

About 3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline

3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline (PubChem CID 62254600) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline
PubChem CID62254600
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline
SMILESCOc1cc(N)ccc1Oc1ncccc1C
InChIInChI=1S/C13H14N2O2/c1-9-4-3-7-15-13(9)17-11-6-5-10(14)8-12(11)16-2/h3-8H,14H2,1-2H3
InChIKeyWBMIOZXYWBDGSZ-UHFFFAOYSA-N
XLogP2.77
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132
2-[(3-methyl-2-pyridinyl)oxy]aniline
CID 62253528
2-[(3-methyl-2-pyridinyl)oxy]pyridin-3-amine
CID 901895
3-methoxy-4-(1-methylimidazol-2-yl)oxyaniline
CID 62132202
1-(4-amino-2-methoxyphenoxy)isoquinolin-7-ol
CID 106540139
4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
CID 16781104
3-(4-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one
CID 62929350
4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline
CID 83065097
4-(5-bromopyrimidin-2-yl)oxy-3-methoxyaniline
CID 63871898
4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine
CID 79589171
O-(3-methyl-2-pyridinyl)hydroxylamine
CID 79422028
3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one
CID 114570848

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline?
The IUPAC name of 3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline (CID 62254600) is 3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline?
The canonical SMILES for 3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline is COc1cc(N)ccc1Oc1ncccc1C.
What is the InChIKey of 3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline?
The InChIKey is WBMIOZXYWBDGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-4-3-7-15-13(9)17-11-6-5-10(14)8-12(11)16-2/h3-8H,14H2,1-2H3.
What are the key properties of 3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline?
3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline has a molecular weight of 230.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 62254600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).