N-(3-chlorophenyl)-1-morpholin-4-ylmethanimine

C11H13ClN2O — CID 523937

IUPACN-(3-chlorophenyl)-1-morpholin-4-ylmethanimine
SMILESClc1cccc(/N=C/N2CCOCC2)c1
InChIInChI=1S/C11H13ClN2O/c12-10-2-1-3-11(8-10)13-9-14-4-6-15-7-5-14/h1-3,8-9H,4-7H2/b13-9+
InChIKeyUIZAQBOFXZMFCC-UKTHLTGXSA-N
MW224.69 g/mol
LogP2.33
Rot. Bonds2

About N-(3-chlorophenyl)-1-morpholin-4-ylmethanimine

N-(3-chlorophenyl)-1-morpholin-4-ylmethanimine (PubChem CID 523937) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-morpholin-4-ylmethanimine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-morpholin-4-ylmethanimine
PubChem CID523937
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-(3-chlorophenyl)-1-morpholin-4-ylmethanimine
SMILESClc1cccc(/N=C/N2CCOCC2)c1
InChIInChI=1S/C11H13ClN2O/c12-10-2-1-3-11(8-10)13-9-14-4-6-15-7-5-14/h1-3,8-9H,4-7H2/b13-9+
InChIKeyUIZAQBOFXZMFCC-UKTHLTGXSA-N
XLogP2.33
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-morpholin-4-ylmethanimine?
The IUPAC name of N-(3-chlorophenyl)-1-morpholin-4-ylmethanimine (CID 523937) is N-(3-chlorophenyl)-1-morpholin-4-ylmethanimine.
What is the SMILES notation for N-(3-chlorophenyl)-1-morpholin-4-ylmethanimine?
The canonical SMILES for N-(3-chlorophenyl)-1-morpholin-4-ylmethanimine is Clc1cccc(/N=C/N2CCOCC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-morpholin-4-ylmethanimine?
The InChIKey is UIZAQBOFXZMFCC-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-10-2-1-3-11(8-10)13-9-14-4-6-15-7-5-14/h1-3,8-9H,4-7H2/b13-9+.
What are the key properties of N-(3-chlorophenyl)-1-morpholin-4-ylmethanimine?
N-(3-chlorophenyl)-1-morpholin-4-ylmethanimine has a molecular weight of 224.69 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-morpholin-4-ylmethanimine is sourced from PubChem (CID 523937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).