ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine

C16H20N2O2 — CID 142977869

IUPACethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine
SMILESCCO.[H]/N=C(\c1ccc(C)cc1)c1ccc(OC)nc1
InChIInChI=1S/C14H14N2O.C2H6O/c1-10-3-5-11(6-4-10)14(15)12-7-8-13(17-2)16-9-12;1-2-3/h3-9,15H,1-2H3;3H,2H2,1H3/b15-14+;
InChIKeyHANDUMCIEWDJCW-WPDLWGESSA-N
MW272.35 g/mol
LogP2.81
Rot. Bonds3

About ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine

ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine (PubChem CID 142977869) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine.

Molecular Properties

Compound Nameethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine
PubChem CID142977869
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nameethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine
SMILESCCO.[H]/N=C(\c1ccc(C)cc1)c1ccc(OC)nc1
InChIInChI=1S/C14H14N2O.C2H6O/c1-10-3-5-11(6-4-10)14(15)12-7-8-13(17-2)16-9-12;1-2-3/h3-9,15H,1-2H3;3H,2H2,1H3/b15-14+;
InChIKeyHANDUMCIEWDJCW-WPDLWGESSA-N
XLogP2.81
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine
CID 142977847
6-methoxypyridine-3-carboxylate
CID 7060527
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
2-bromo-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 167489531
2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride
CID 66622748
(2-ethylphenyl) 6-methoxypyridine-3-carboxylate
CID 78826820
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
CID 107845114
(4-methoxyphenyl)-phenylmethanimine
CID 10856767
N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide
CID 115767344
6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-3-carboximidamide
CID 107743265

Frequently Asked Questions

What is the IUPAC name of ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine?
The IUPAC name of ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine (CID 142977869) is ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine.
What is the SMILES notation for ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine?
The canonical SMILES for ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine is CCO.[H]/N=C(\c1ccc(C)cc1)c1ccc(OC)nc1.
What is the InChIKey of ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine?
The InChIKey is HANDUMCIEWDJCW-WPDLWGESSA-N. The full InChI is InChI=1S/C14H14N2O.C2H6O/c1-10-3-5-11(6-4-10)14(15)12-7-8-13(17-2)16-9-12;1-2-3/h3-9,15H,1-2H3;3H,2H2,1H3/b15-14+;.
What are the key properties of ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine?
ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine has a molecular weight of 272.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine is sourced from PubChem (CID 142977869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).