2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline

C12H13N3O2 — CID 69195684

IUPAC2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline
SMILESCOc1cc(Oc2ccnnc2C)ccc1N
InChIInChI=1S/C12H13N3O2/c1-8-11(5-6-14-15-8)17-9-3-4-10(13)12(7-9)16-2/h3-7H,13H2,1-2H3
InChIKeyFGDNRUNMPLNBJI-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.17
Rot. Bonds3

About 2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline

2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline (PubChem CID 69195684) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline.

Molecular Properties

Compound Name2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline
PubChem CID69195684
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline
SMILESCOc1cc(Oc2ccnnc2C)ccc1N
InChIInChI=1S/C12H13N3O2/c1-8-11(5-6-14-15-8)17-9-3-4-10(13)12(7-9)16-2/h3-7H,13H2,1-2H3
InChIKeyFGDNRUNMPLNBJI-UHFFFAOYSA-N
XLogP2.17
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
4-(2,3-dimethylphenoxy)-2-methoxyaniline
CID 63677998
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373
3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile
CID 102702927
2-methoxy-4-quinolin-8-yloxyaniline
CID 63678209
2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline
CID 69194647
4-(4-tert-butylphenoxy)-2-methoxyaniline
CID 63675564
4-[4-[[4-(4-amino-3-methoxyphenoxy)phenyl]methyl]phenoxy]-2-methoxyaniline
CID 139713014
4-(4-ethylphenoxy)-2-methoxyaniline
CID 63678406
4-[4-[1,1-bis[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 66649899
4-[4-[1-[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139713080

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline?
The IUPAC name of 2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline (CID 69195684) is 2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline.
What is the SMILES notation for 2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline?
The canonical SMILES for 2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline is COc1cc(Oc2ccnnc2C)ccc1N.
What is the InChIKey of 2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline?
The InChIKey is FGDNRUNMPLNBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-11(5-6-14-15-8)17-9-3-4-10(13)12(7-9)16-2/h3-7H,13H2,1-2H3.
What are the key properties of 2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline?
2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline has a molecular weight of 231.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline is sourced from PubChem (CID 69195684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).