N-[(2-methylphenyl)methoxy]methanimine

C9H11NO — CID 54167357

IUPACN-[(2-methylphenyl)methoxy]methanimine
SMILESC=NOCc1ccccc1C
InChIInChI=1S/C9H11NO/c1-8-5-3-4-6-9(8)7-11-10-2/h3-6H,2,7H2,1H3
InChIKeyVGJCEYKSNMLKER-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.13
Rot. Bonds3

About N-[(2-methylphenyl)methoxy]methanimine

N-[(2-methylphenyl)methoxy]methanimine (PubChem CID 54167357) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-[(2-methylphenyl)methoxy]methanimine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methoxy]methanimine
PubChem CID54167357
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-[(2-methylphenyl)methoxy]methanimine
SMILESC=NOCc1ccccc1C
InChIInChI=1S/C9H11NO/c1-8-5-3-4-6-9(8)7-11-10-2/h3-6H,2,7H2,1H3
InChIKeyVGJCEYKSNMLKER-UHFFFAOYSA-N
XLogP2.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2,4-dimethyl-N-[(2-methylphenyl)methoxy]-1,5-benzodiazepin-3-imine
CID 706930
N-phenylmethoxymethanimine
CID 561610
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
ethane;1-methyl-2-(propoxymethyl)benzene
CID 144908346
1-methyl-2-[[methyl-[(2-methylphenyl)methyl]phosphoryl]methyl]benzene
CID 145133385
1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
CID 58414082
ethane;(2-methylphenyl)methyl acetate
CID 143177732
(2-methylphenyl)methoxy-di(propan-2-yl)azanium
CID 173224071
CID 57429570
CID 57429570
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine
CID 170097315
1-(chloromethyl)-2-methylbenzene
CID 11093

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methoxy]methanimine?
The IUPAC name of N-[(2-methylphenyl)methoxy]methanimine (CID 54167357) is N-[(2-methylphenyl)methoxy]methanimine.
What is the SMILES notation for N-[(2-methylphenyl)methoxy]methanimine?
The canonical SMILES for N-[(2-methylphenyl)methoxy]methanimine is C=NOCc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methoxy]methanimine?
The InChIKey is VGJCEYKSNMLKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-8-5-3-4-6-9(8)7-11-10-2/h3-6H,2,7H2,1H3.
What are the key properties of N-[(2-methylphenyl)methoxy]methanimine?
N-[(2-methylphenyl)methoxy]methanimine has a molecular weight of 149.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methoxy]methanimine is sourced from PubChem (CID 54167357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).