(Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine

C13H19NO4 — CID 10562827

IUPAC(Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine
SMILESCOc1cc(OC)c(/C=N\OC(C)C)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-9(2)18-14-8-11-12(16-4)6-10(15-3)7-13(11)17-5/h6-9H,1-5H3/b14-8-
InChIKeyXFDFUTDQEQUUQH-ZSOIEALJSA-N
MW253.30 g/mol
LogP2.47
Rot. Bonds6

About (Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine

(Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine (PubChem CID 10562827) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is (Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine
PubChem CID10562827
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name(Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine
SMILESCOc1cc(OC)c(/C=N\OC(C)C)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-9(2)18-14-8-11-12(16-4)6-10(15-3)7-13(11)17-5/h6-9H,1-5H3/b14-8-
InChIKeyXFDFUTDQEQUUQH-ZSOIEALJSA-N
XLogP2.47
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(NE)-N-[(2,4,6-trimethoxyphenyl)methylidene]sulfamoyl fluoride
CID 163366457
[(2,4,6-trimethoxyphenyl)methylideneamino] cyclopropanecarboxylate
CID 85273118
CID 101022784
CID 101022784
(NE)-2-methyl-N-[(2,4,6-trimethoxyphenyl)methylidene]propane-2-sulfinamide
CID 135023920
1,1-diamino-N-[(2,4,6-trimethoxyphenyl)methylideneamino]methanimine oxide
CID 173236616
1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
CID 643381
2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol
CID 136859318
N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
CID 169381531
2-[2-(bromomethyl)-3-methylbut-1-enyl]-1,3,5-trimethoxybenzene
CID 79321825
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
CID 9012658
2-methyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
CID 79330053
2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol
CID 136808100

Frequently Asked Questions

What is the IUPAC name of (Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine?
The IUPAC name of (Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine (CID 10562827) is (Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine.
What is the SMILES notation for (Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine?
The canonical SMILES for (Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine is COc1cc(OC)c(/C=N\OC(C)C)c(OC)c1.
What is the InChIKey of (Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine?
The InChIKey is XFDFUTDQEQUUQH-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(2)18-14-8-11-12(16-4)6-10(15-3)7-13(11)17-5/h6-9H,1-5H3/b14-8-.
What are the key properties of (Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine?
(Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine has a molecular weight of 253.30 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propan-2-yloxy-1-(2,4,6-trimethoxyphenyl)methanimine is sourced from PubChem (CID 10562827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).