(E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine

C11H15NO — CID 21345733

IUPAC(E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccc(C)c(C)c1
InChIInChI=1S/C11H15NO/c1-8-5-6-11(7-9(8)2)10(3)12-13-4/h5-7H,1-4H3/b12-10+
InChIKeyODTOTSAPLUNCLJ-ZRDIBKRKSA-N
MW177.25 g/mol
LogP2.67
Rot. Bonds2

About (E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine

(E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine (PubChem CID 21345733) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine
PubChem CID21345733
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccc(C)c(C)c1
InChIInChI=1S/C11H15NO/c1-8-5-6-11(7-9(8)2)10(3)12-13-4/h5-7H,1-4H3/b12-10+
InChIKeyODTOTSAPLUNCLJ-ZRDIBKRKSA-N
XLogP2.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.67
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

(E)-1-(3,4-dimethylphenyl)-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]ethanimine
CID 177451441
(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
CID 52540048
1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine
CID 72609414
3-[(E)-N-methoxy-C-methylcarbonimidoyl]aniline
CID 83525120
N-(benzhydrylideneamino)-1-(3,4-dimethylphenyl)ethanimine
CID 4649996
4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde
CID 142977797
(E)-1-(3,4-dimethyl-5-nitrophenyl)-N-methoxyethanimine
CID 177472556
4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol
CID 136994688
(NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 137059978
1-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]propan-1-one
CID 23555802
(Z)-N-methoxy-1-(4-propylphenyl)ethanimine
CID 90777265
ethyl N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamate
CID 6015437

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine?
The IUPAC name of (E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine (CID 21345733) is (E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine.
What is the SMILES notation for (E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine?
The canonical SMILES for (E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine is CO/N=C(\C)c1ccc(C)c(C)c1.
What is the InChIKey of (E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine?
The InChIKey is ODTOTSAPLUNCLJ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-5-6-11(7-9(8)2)10(3)12-13-4/h5-7H,1-4H3/b12-10+.
What are the key properties of (E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine?
(E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine has a molecular weight of 177.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine is sourced from PubChem (CID 21345733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).