2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine

C12H17ClN2O — CID 3059120

IUPAC2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
SMILESCC(=NOCCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-10(14-16-9-8-15(2)3)11-4-6-12(13)7-5-11/h4-7H,8-9H2,1-3H3
InChIKeyZEWPZWZBVHCPOR-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.64
Rot. Bonds5

About 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine

2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine (PubChem CID 3059120) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
PubChem CID3059120
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
SMILESCC(=NOCCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-10(14-16-9-8-15(2)3)11-4-6-12(13)7-5-11/h4-7H,8-9H2,1-3H3
InChIKeyZEWPZWZBVHCPOR-UHFFFAOYSA-N
XLogP2.64
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine (CID 3059120) is 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine is CC(=NOCCN(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine?
The InChIKey is ZEWPZWZBVHCPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-10(14-16-9-8-15(2)3)11-4-6-12(13)7-5-11/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine?
2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine has a molecular weight of 240.73 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 3059120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).