methoxy(phenylmethoxy)methanimine

C9H11NO2 — CID 20535619

IUPACmethoxy(phenylmethoxy)methanimine
SMILES[H]/N=C(\OC)OCc1ccccc1
InChIInChI=1S/C9H11NO2/c1-11-9(10)12-7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3/b10-9+
InChIKeyVGTHHNQBLMFROB-MDZDMXLPSA-N
MW165.19 g/mol
LogP1.78
Rot. Bonds2

About methoxy(phenylmethoxy)methanimine

methoxy(phenylmethoxy)methanimine (PubChem CID 20535619) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methoxy(phenylmethoxy)methanimine.

Molecular Properties

Compound Namemethoxy(phenylmethoxy)methanimine
PubChem CID20535619
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethoxy(phenylmethoxy)methanimine
SMILES[H]/N=C(\OC)OCc1ccccc1
InChIInChI=1S/C9H11NO2/c1-11-9(10)12-7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3/b10-9+
InChIKeyVGTHHNQBLMFROB-MDZDMXLPSA-N
XLogP1.78
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(C-methoxycarbonimidoyl)carbamate
CID 139267837
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl acetate
CID 8785
benzyl 2-[(2-ethoxy-2-iminoethyl)amino]acetate
CID 170231683
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
(2R)-2-ethyl-3-imino-4-oxo-4-phenylmethoxybutanoic acid
CID 174621925
dimethyl 2-[4-[1,3-dioxo-1,3-bis(phenylmethoxy)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propanedioate
CID 101114631
3-O-benzyl 1-O-methyl 2-aminopropanedioate;hydrochloride
CID 14861668
phenylmethoxymethyl carbamimidoselenoate
CID 58884129
O-benzyl ethanethioate;hydrochloride
CID 140957923
benzyl 3-carbamimidoylpentanoate
CID 138460777

Frequently Asked Questions

What is the IUPAC name of methoxy(phenylmethoxy)methanimine?
The IUPAC name of methoxy(phenylmethoxy)methanimine (CID 20535619) is methoxy(phenylmethoxy)methanimine.
What is the SMILES notation for methoxy(phenylmethoxy)methanimine?
The canonical SMILES for methoxy(phenylmethoxy)methanimine is [H]/N=C(\OC)OCc1ccccc1.
What is the InChIKey of methoxy(phenylmethoxy)methanimine?
The InChIKey is VGTHHNQBLMFROB-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H11NO2/c1-11-9(10)12-7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3/b10-9+.
What are the key properties of methoxy(phenylmethoxy)methanimine?
methoxy(phenylmethoxy)methanimine has a molecular weight of 165.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(phenylmethoxy)methanimine is sourced from PubChem (CID 20535619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).