N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine

C16H18N2O2 — CID 86728938

IUPACN-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine
SMILESCOc1cccc(/N=C/c2ccc(OC(C)C)nc2)c1
InChIInChI=1S/C16H18N2O2/c1-12(2)20-16-8-7-13(11-18-16)10-17-14-5-4-6-15(9-14)19-3/h4-12H,1-3H3/b17-10+
InChIKeyPYUDWZKGAXJIBY-LICLKQGHSA-N
MW270.33 g/mol
LogP3.63
Rot. Bonds5

About N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine

N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine (PubChem CID 86728938) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine
PubChem CID86728938
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine
SMILESCOc1cccc(/N=C/c2ccc(OC(C)C)nc2)c1
InChIInChI=1S/C16H18N2O2/c1-12(2)20-16-8-7-13(11-18-16)10-17-14-5-4-6-15(9-14)19-3/h4-12H,1-3H3/b17-10+
InChIKeyPYUDWZKGAXJIBY-LICLKQGHSA-N
XLogP3.63
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

N-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)methanimine
CID 86728650
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine
CID 86728778
1-(3,5-diiodo-2-propan-2-yloxyphenyl)-N-(3-methoxyphenyl)methanimine
CID 3361599
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-N-(3-methoxyphenyl)methanimine
CID 86728757
2-ethyl-N-(3-methoxyphenyl)butan-1-imine
CID 134609514
N-(3,5-dichlorophenyl)-1-(3-methoxyphenyl)methanimine
CID 932077
propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate
CID 126191295
4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol
CID 137080897
1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane
CID 143730152
6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80631360
N-(4-ethylphenyl)-1-(3-methoxyphenyl)methanimine
CID 126208711

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine?
The IUPAC name of N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine (CID 86728938) is N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine?
The canonical SMILES for N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine is COc1cccc(/N=C/c2ccc(OC(C)C)nc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine?
The InChIKey is PYUDWZKGAXJIBY-LICLKQGHSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(2)20-16-8-7-13(11-18-16)10-17-14-5-4-6-15(9-14)19-3/h4-12H,1-3H3/b17-10+.
What are the key properties of N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine?
N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine has a molecular weight of 270.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)methanimine is sourced from PubChem (CID 86728938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).