(E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine

C12H14ClNO — CID 89317490

IUPAC(E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine
SMILESC/C(=N\OCC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO/c1-9(14-15-8-10-5-6-10)11-3-2-4-12(13)7-11/h2-4,7,10H,5-6,8H2,1H3/b14-9+
InChIKeyCIXWTIRQDYLUFM-NTEUORMPSA-N
MW223.70 g/mol
LogP3.49
Rot. Bonds4

About (E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine

(E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine (PubChem CID 89317490) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine.

Molecular Properties

Compound Name(E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine
PubChem CID89317490
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine
SMILESC/C(=N\OCC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO/c1-9(14-15-8-10-5-6-10)11-3-2-4-12(13)7-11/h2-4,7,10H,5-6,8H2,1H3/b14-9+
InChIKeyCIXWTIRQDYLUFM-NTEUORMPSA-N
XLogP3.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.49
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)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine?
The IUPAC name of (E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine (CID 89317490) is (E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine.
What is the SMILES notation for (E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine?
The canonical SMILES for (E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine is C/C(=N\OCC1CC1)c1cccc(Cl)c1.
What is the InChIKey of (E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine?
The InChIKey is CIXWTIRQDYLUFM-NTEUORMPSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-9(14-15-8-10-5-6-10)11-3-2-4-12(13)7-11/h2-4,7,10H,5-6,8H2,1H3/b14-9+.
What are the key properties of (E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine?
(E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine has a molecular weight of 223.70 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-chlorophenyl)-N-(cyclopropylmethoxy)ethanimine is sourced from PubChem (CID 89317490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).