(E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine

C14H20N2O2 — CID 90992708

IUPAC(E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine
SMILESCCO/N=C(\c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-3-18-15-14(16-8-10-17-11-9-16)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3/b15-14+
InChIKeyVQPNLWKBKLMDFF-CCEZHUSRSA-N
MW248.33 g/mol
LogP2.03
Rot. Bonds3

About (E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine

(E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine (PubChem CID 90992708) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine
PubChem CID90992708
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine
SMILESCCO/N=C(\c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-3-18-15-14(16-8-10-17-11-9-16)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3/b15-14+
InChIKeyVQPNLWKBKLMDFF-CCEZHUSRSA-N
XLogP2.03
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-3-(morpholin-4-ylmethyl)benzene-1-carboximidamide
CID 24694925
4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 43818961
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 57368830
4-methyl-N'-[(morpholin-4-ylcarbonyl)oxy]benzenecarboximidamide
CID 9587488
N'-[(morpholin-4-ylcarbonyl)oxy]benzenecarboximidamide
CID 9587524
4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine
CID 685020
4-(4-Methylbenzyl)morpholine
CID 783402
(NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine
CID 5367900
3-(Morpholin-4-ylmethyl)benzene-1-carboximidamide dihydrochloride
CID 47002343
(NZ)-N-[morpholin-4-yl-[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 168349948
N-hydroxy-4-(morpholinomethyl)benzamidine
CID 16772099
4-[(4-Methylphenyl)methyl]-4-oxidomorpholin-4-ium
CID 88948351

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine?
The IUPAC name of (E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine (CID 90992708) is (E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine.
What is the SMILES notation for (E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine?
The canonical SMILES for (E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine is CCO/N=C(\c1ccc(C)cc1)N1CCOCC1.
What is the InChIKey of (E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine?
The InChIKey is VQPNLWKBKLMDFF-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-15-14(16-8-10-17-11-9-16)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3/b15-14+.
What are the key properties of (E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine?
(E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine has a molecular weight of 248.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine is sourced from PubChem (CID 90992708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).