N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine

C17H19NO3 — CID 57281154

IUPACN-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine
SMILESCOCc1ccc(COc2ccc(C=NOC)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-19-12-15-3-5-16(6-4-15)13-21-17-9-7-14(8-10-17)11-18-20-2/h3-11H,12-13H2,1-2H3
InChIKeyJSSGHAURSFPJRK-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.39
Rot. Bonds7

About N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine

N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine (PubChem CID 57281154) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine
PubChem CID57281154
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine
SMILESCOCc1ccc(COc2ccc(C=NOC)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-19-12-15-3-5-16(6-4-15)13-21-17-9-7-14(8-10-17)11-18-20-2/h3-11H,12-13H2,1-2H3
InChIKeyJSSGHAURSFPJRK-UHFFFAOYSA-N
XLogP3.39
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-ethylphenyl)-N-methoxymethanimine
CID 89096123
1-[4-[[2-(chloromethyl)phenyl]methoxy]phenyl]-N-methoxymethanimine
CID 57062929
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(Z)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]phenyl]-N-methoxymethanimine
CID 91184024
1-(methoxymethoxy)-4-(methoxymethyl)benzene
CID 59017141
(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5350180
4-[(4-nitrosophenyl)methoxy]benzaldehyde
CID 88889564
(Z)-1-(4-chlorophenyl)-N-methoxymethanimine
CID 5374184
N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane
CID 145260574
N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
CID 23343953
(NZ)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 39869732
1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene
CID 176847126

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine?
The IUPAC name of N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine (CID 57281154) is N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine.
What is the SMILES notation for N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine?
The canonical SMILES for N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine is COCc1ccc(COc2ccc(C=NOC)cc2)cc1.
What is the InChIKey of N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine?
The InChIKey is JSSGHAURSFPJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-19-12-15-3-5-16(6-4-15)13-21-17-9-7-14(8-10-17)11-18-20-2/h3-11H,12-13H2,1-2H3.
What are the key properties of N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine?
N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine has a molecular weight of 285.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine is sourced from PubChem (CID 57281154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).