(E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine

C12H17NO2 — CID 20711809

IUPAC(E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine
SMILESCCO/N=C/c1ccccc1C(C)OC
InChIInChI=1S/C12H17NO2/c1-4-15-13-9-11-7-5-6-8-12(11)10(2)14-3/h5-10H,4H2,1-3H3/b13-9+
InChIKeyJNPRKERPUIOUQV-UKTHLTGXSA-N
MW207.27 g/mol
LogP2.76
Rot. Bonds5

About (E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine

(E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine (PubChem CID 20711809) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine
PubChem CID20711809
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine
SMILESCCO/N=C/c1ccccc1C(C)OC
InChIInChI=1S/C12H17NO2/c1-4-15-13-9-11-7-5-6-8-12(11)10(2)14-3/h5-10H,4H2,1-3H3/b13-9+
InChIKeyJNPRKERPUIOUQV-UKTHLTGXSA-N
XLogP2.76
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(NE)-N-[[2-(1-methoxyethyl)phenyl]methylidene]hydroxylamine
CID 20711802
(E)-N-ethoxy-1-(2-methoxyphenyl)methanimine
CID 11378847
(E)-N-ethoxy-1-(2-ethoxyphenyl)methanimine
CID 134892743
(E)-N-ethoxy-1-(2-methylphenyl)methanimine
CID 88956534
[2-(1-methoxyethyl)phenyl]methanimine
CID 20711806
(E)-1-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]-N-ethoxymethanimine
CID 24906196
N-[(2R)-butan-2-yl]-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664433
1-[2-[(E)-hydroxyiminomethyl]phenyl]ethyl acetate
CID 87619875
CID 174469146
CID 174469146
2-[2-(1-methoxyethyl)phenyl]propan-1-ol
CID 117113507
2-[2-(1-methoxyethyl)phenyl]propan-1-amine
CID 115113156
methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate
CID 137304074

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine?
The IUPAC name of (E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine (CID 20711809) is (E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine is CCO/N=C/c1ccccc1C(C)OC.
What is the InChIKey of (E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine?
The InChIKey is JNPRKERPUIOUQV-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-15-13-9-11-7-5-6-8-12(11)10(2)14-3/h5-10H,4H2,1-3H3/b13-9+.
What are the key properties of (E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine?
(E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine has a molecular weight of 207.27 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-1-[2-(1-methoxyethyl)phenyl]methanimine is sourced from PubChem (CID 20711809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).