2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride

C17H19Cl3N2O — CID 6510229

IUPAC2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCO/N=C(/c1cccc(Cl)c1)c1ccccc1Cl.Cl
InChIInChI=1S/C17H18Cl2N2O.ClH/c1-21(2)10-11-22-20-17(13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)19;/h3-9,12H,10-11H2,1-2H3;1H/b20-17-;
InChIKeyMHSNTBQDFWQBJR-BZHDPTRRSA-N
MW373.71 g/mol
LogP4.75
Rot. Bonds6

About 2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride

2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride (PubChem CID 6510229) has the molecular formula C17H19Cl3N2O and a molecular weight of 373.71 g/mol. Its IUPAC name is 2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride
PubChem CID6510229
Molecular FormulaC17H19Cl3N2O
Molecular Weight373.71 g/mol
Exact Mass372.06
IUPAC Name2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCO/N=C(/c1cccc(Cl)c1)c1ccccc1Cl.Cl
InChIInChI=1S/C17H18Cl2N2O.ClH/c1-21(2)10-11-22-20-17(13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)19;/h3-9,12H,10-11H2,1-2H3;1H/b20-17-;
InChIKeyMHSNTBQDFWQBJR-BZHDPTRRSA-N
XLogP4.75
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.71
LogP ≤ 54.75
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)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride (CID 6510229) is 2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride is CN(C)CCO/N=C(/c1cccc(Cl)c1)c1ccccc1Cl.Cl.
What is the InChIKey of 2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride?
The InChIKey is MHSNTBQDFWQBJR-BZHDPTRRSA-N. The full InChI is InChI=1S/C17H18Cl2N2O.ClH/c1-21(2)10-11-22-20-17(13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)19;/h3-9,12H,10-11H2,1-2H3;1H/b20-17-;.
What are the key properties of 2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride?
2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride has a molecular weight of 373.71 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 6510229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).