3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline

C14H16N2O2 — CID 114272204

IUPAC3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline
SMILESCOc1ccc(N)cc1Oc1cc(C)nc(C)c1
InChIInChI=1S/C14H16N2O2/c1-9-6-12(7-10(2)16-9)18-14-8-11(15)4-5-13(14)17-3/h4-8H,15H2,1-3H3
InChIKeyYKVSFRNELHXNSO-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.08
Rot. Bonds3

About 3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline

3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline (PubChem CID 114272204) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline.

Molecular Properties

Compound Name3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline
PubChem CID114272204
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline
SMILESCOc1ccc(N)cc1Oc1cc(C)nc(C)c1
InChIInChI=1S/C14H16N2O2/c1-9-6-12(7-10(2)16-9)18-14-8-11(15)4-5-13(14)17-3/h4-8H,15H2,1-3H3
InChIKeyYKVSFRNELHXNSO-UHFFFAOYSA-N
XLogP3.08
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 43173770
5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 113321406
ethane;methane;3-methoxy-4-methylaniline
CID 144516222
3-methoxy-4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]aniline
CID 82893476
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
4-bromo-3-methoxyaniline;iron
CID 158491783
4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891927
3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one
CID 114570848
2-(5-amino-2-methoxyphenoxy)benzonitrile
CID 43363978
3-methoxy-4-[(3-methyl-2-pyridinyl)oxy]aniline
CID 62254600
3-methoxy-4-(1-methyltetrazol-5-yl)oxyaniline
CID 63149702
3-(2,4-dimethylimidazol-1-yl)-4-methoxyaniline
CID 82512676

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline?
The IUPAC name of 3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline (CID 114272204) is 3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline.
What is the SMILES notation for 3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline?
The canonical SMILES for 3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline is COc1ccc(N)cc1Oc1cc(C)nc(C)c1.
What is the InChIKey of 3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline?
The InChIKey is YKVSFRNELHXNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-6-12(7-10(2)16-9)18-14-8-11(15)4-5-13(14)17-3/h4-8H,15H2,1-3H3.
What are the key properties of 3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline?
3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline has a molecular weight of 244.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline is sourced from PubChem (CID 114272204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).