(E)-1-(4-ethylphenyl)-N-methoxymethanimine

C10H13NO — CID 89096123

IUPAC(E)-1-(4-ethylphenyl)-N-methoxymethanimine
SMILESCCc1ccc(/C=N/OC)cc1
InChIInChI=1S/C10H13NO/c1-3-9-4-6-10(7-5-9)8-11-12-2/h4-8H,3H2,1-2H3/b11-8+
InChIKeyAFLKQJJYFXXSSE-DHZHZOJOSA-N
MW163.22 g/mol
LogP2.23
Rot. Bonds3

About (E)-1-(4-ethylphenyl)-N-methoxymethanimine

(E)-1-(4-ethylphenyl)-N-methoxymethanimine (PubChem CID 89096123) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (E)-1-(4-ethylphenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-(4-ethylphenyl)-N-methoxymethanimine
PubChem CID89096123
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(E)-1-(4-ethylphenyl)-N-methoxymethanimine
SMILESCCc1ccc(/C=N/OC)cc1
InChIInChI=1S/C10H13NO/c1-3-9-4-6-10(7-5-9)8-11-12-2/h4-8H,3H2,1-2H3/b11-8+
InChIKeyAFLKQJJYFXXSSE-DHZHZOJOSA-N
XLogP2.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.23
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

N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(Z)-1-(4-chlorophenyl)-N-methoxymethanimine
CID 5374184
N-methoxy-1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]methanimine
CID 57281154
(E,1E)-4-(4-ethylphenyl)-1-methoxyiminobut-3-en-2-one
CID 46841654
N-[[1-[3-[4-[(Z)-methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 136851378
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanimine
CID 74057330
(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(4-ethylphenyl)methanimine
CID 9371367
1-ethyl-4-(2-methoxyethenyl)benzene
CID 131871300
1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 7326664
4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 172917579
N-[(E)-(4-ethylphenyl)methylideneamino]formamide
CID 6903320
(E)-1-(4-ethyl-2,6-difluorophenyl)-N-methoxymethanimine
CID 88956524

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethylphenyl)-N-methoxymethanimine?
The IUPAC name of (E)-1-(4-ethylphenyl)-N-methoxymethanimine (CID 89096123) is (E)-1-(4-ethylphenyl)-N-methoxymethanimine.
What is the SMILES notation for (E)-1-(4-ethylphenyl)-N-methoxymethanimine?
The canonical SMILES for (E)-1-(4-ethylphenyl)-N-methoxymethanimine is CCc1ccc(/C=N/OC)cc1.
What is the InChIKey of (E)-1-(4-ethylphenyl)-N-methoxymethanimine?
The InChIKey is AFLKQJJYFXXSSE-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-9-4-6-10(7-5-9)8-11-12-2/h4-8H,3H2,1-2H3/b11-8+.
What are the key properties of (E)-1-(4-ethylphenyl)-N-methoxymethanimine?
(E)-1-(4-ethylphenyl)-N-methoxymethanimine has a molecular weight of 163.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethylphenyl)-N-methoxymethanimine is sourced from PubChem (CID 89096123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).