N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine

C16H18N2O2 — CID 3058417

IUPACN-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine
SMILESCCOc1ccc(/N=C/c2ccncc2)cc1OCC
InChIInChI=1S/C16H18N2O2/c1-3-19-15-6-5-14(11-16(15)20-4-2)18-12-13-7-9-17-10-8-13/h5-12H,3-4H2,1-2H3/b18-12+
InChIKeyXXXUKZCWLJYOOY-LDADJPATSA-N
MW270.33 g/mol
LogP3.63
Rot. Bonds6

About N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine

N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine (PubChem CID 3058417) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine
PubChem CID3058417
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine
SMILESCCOc1ccc(/N=C/c2ccncc2)cc1OCC
InChIInChI=1S/C16H18N2O2/c1-3-19-15-6-5-14(11-16(15)20-4-2)18-12-13-7-9-17-10-8-13/h5-12H,3-4H2,1-2H3/b18-12+
InChIKeyXXXUKZCWLJYOOY-LDADJPATSA-N
XLogP3.63
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-Dimethoxy-3-phenylquinoxaline
CID 2049
3-(Pyridin-2-yloxy)aniline
CID 13150573
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
1-(4-(2-Hydroxy-2-methylpropoxy)-3-methoxyphenyl)-4-((pyridin-2-yloxy)methyl)pyridin-2(1H)-one
CID 58580251
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 961305
3-Mppts
CID 10275802
5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-3-amine
CID 16749217
1-(3,4-Dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)thiourea
CID 2956389
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-[(6-fluoro-3-pyridinyl)methyl]piperazine
CID 56926587
Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine
CID 1087209
3-(6-tert-butylpyridin-3-yl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide
CID 10215323
3-(5-tert-butylpyridin-2-yl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide
CID 11233046

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine?
The IUPAC name of N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine (CID 3058417) is N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine?
The canonical SMILES for N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine is CCOc1ccc(/N=C/c2ccncc2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine?
The InChIKey is XXXUKZCWLJYOOY-LDADJPATSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-19-15-6-5-14(11-16(15)20-4-2)18-12-13-7-9-17-10-8-13/h5-12H,3-4H2,1-2H3/b18-12+.
What are the key properties of N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine?
N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine has a molecular weight of 270.33 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 3058417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).