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

C12H18Cl2N2O — CID 6510000

IUPAC2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride
SMILESC/C(=N/OCCN(C)C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-10(14-16-9-8-15(2)3)11-4-6-12(13)7-5-11;/h4-7H,8-9H2,1-3H3;1H/b14-10-;
InChIKeyFOQSDQTYRGXUPR-DZOOLQPHSA-N
MW277.19 g/mol
LogP3.06
Rot. Bonds5

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

2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride (PubChem CID 6510000) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride
PubChem CID6510000
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride
SMILESC/C(=N/OCCN(C)C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-10(14-16-9-8-15(2)3)11-4-6-12(13)7-5-11;/h4-7H,8-9H2,1-3H3;1H/b14-10-;
InChIKeyFOQSDQTYRGXUPR-DZOOLQPHSA-N
XLogP3.06
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.06
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-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride (CID 6510000) is 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride is C/C(=N/OCCN(C)C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride?
The InChIKey is FOQSDQTYRGXUPR-DZOOLQPHSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-10(14-16-9-8-15(2)3)11-4-6-12(13)7-5-11;/h4-7H,8-9H2,1-3H3;1H/b14-10-;.
What are the key properties of 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride?
2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 6510000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).