(E)-N-ethoxy-1-(2-methylphenyl)methanimine

C10H13NO — CID 88956534

IUPAC(E)-N-ethoxy-1-(2-methylphenyl)methanimine
SMILESCCO/N=C/c1ccccc1C
InChIInChI=1S/C10H13NO/c1-3-12-11-8-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3/b11-8+
InChIKeyXKVUSGUZOVEZDM-DHZHZOJOSA-N
MW163.22 g/mol
LogP2.37
Rot. Bonds3

About (E)-N-ethoxy-1-(2-methylphenyl)methanimine

(E)-N-ethoxy-1-(2-methylphenyl)methanimine (PubChem CID 88956534) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (E)-N-ethoxy-1-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-ethoxy-1-(2-methylphenyl)methanimine
PubChem CID88956534
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(E)-N-ethoxy-1-(2-methylphenyl)methanimine
SMILESCCO/N=C/c1ccccc1C
InChIInChI=1S/C10H13NO/c1-3-12-11-8-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3/b11-8+
InChIKeyXKVUSGUZOVEZDM-DHZHZOJOSA-N
XLogP2.37
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 ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxy-1-(2-methylphenyl)methanimine?
The IUPAC name of (E)-N-ethoxy-1-(2-methylphenyl)methanimine (CID 88956534) is (E)-N-ethoxy-1-(2-methylphenyl)methanimine.
What is the SMILES notation for (E)-N-ethoxy-1-(2-methylphenyl)methanimine?
The canonical SMILES for (E)-N-ethoxy-1-(2-methylphenyl)methanimine is CCO/N=C/c1ccccc1C.
What is the InChIKey of (E)-N-ethoxy-1-(2-methylphenyl)methanimine?
The InChIKey is XKVUSGUZOVEZDM-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-12-11-8-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3/b11-8+.
What are the key properties of (E)-N-ethoxy-1-(2-methylphenyl)methanimine?
(E)-N-ethoxy-1-(2-methylphenyl)methanimine has a molecular weight of 163.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-1-(2-methylphenyl)methanimine is sourced from PubChem (CID 88956534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).