(E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine

C16H17NO — CID 164677623

IUPAC(E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine
SMILESCO/N=C(\C)c1ccc(-c2ccccc2)cc1C
InChIInChI=1S/C16H17NO/c1-12-11-15(14-7-5-4-6-8-14)9-10-16(12)13(2)17-18-3/h4-11H,1-3H3/b17-13+
InChIKeyLGJQTFROLVONAZ-GHRIWEEISA-N
MW239.32 g/mol
LogP4.03
Rot. Bonds3

About (E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine

(E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine (PubChem CID 164677623) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine
PubChem CID164677623
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine
SMILESCO/N=C(\C)c1ccc(-c2ccccc2)cc1C
InChIInChI=1S/C16H17NO/c1-12-11-15(14-7-5-4-6-8-14)9-10-16(12)13(2)17-18-3/h4-11H,1-3H3/b17-13+
InChIKeyLGJQTFROLVONAZ-GHRIWEEISA-N
XLogP4.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.03
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

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(NE)-N-[3,3-dimethyl-5-(3-methylphenyl)-2H-inden-1-ylidene]hydroxylamine
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(1E)-N-Hydroxy-1-(naphthalen-1-yl)ethanimine
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(4-Fluorophenyl)[2-(4-methylphenyl)cyclopropyl]methanone oxime
CID 9613304
1-(2,3-dihydro-1H-inden-5-yl)ethan-1-one oxime
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5H-Dibenzo(a,d)cyclohepten-5-one oxime
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N-[(2,6-dimethylphenyl)(phenyl)methylene]-N-methylamine
CID 1203670
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CID 5716935

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine?
The IUPAC name of (E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine (CID 164677623) is (E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine.
What is the SMILES notation for (E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine?
The canonical SMILES for (E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine is CO/N=C(\C)c1ccc(-c2ccccc2)cc1C.
What is the InChIKey of (E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine?
The InChIKey is LGJQTFROLVONAZ-GHRIWEEISA-N. The full InChI is InChI=1S/C16H17NO/c1-12-11-15(14-7-5-4-6-8-14)9-10-16(12)13(2)17-18-3/h4-11H,1-3H3/b17-13+.
What are the key properties of (E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine?
(E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine has a molecular weight of 239.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(2-methyl-4-phenylphenyl)ethanimine is sourced from PubChem (CID 164677623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).