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

C14H22Cl2N2O — CID 6510001

IUPAC2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCO/N=C(/C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-4-17(5-2)10-11-18-16-12(3)13-6-8-14(15)9-7-13;/h6-9H,4-5,10-11H2,1-3H3;1H/b16-12-;
InChIKeyUGPLUORMBKEGNT-PXJKFVASSA-N
MW305.25 g/mol
LogP3.84
Rot. Bonds7

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

2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-diethylethanamine;hydrochloride (PubChem CID 6510001) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-diethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-diethylethanamine;hydrochloride
PubChem CID6510001
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCO/N=C(/C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-4-17(5-2)10-11-18-16-12(3)13-6-8-14(15)9-7-13;/h6-9H,4-5,10-11H2,1-3H3;1H/b16-12-;
InChIKeyUGPLUORMBKEGNT-PXJKFVASSA-N
XLogP3.84
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.84
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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Related Compounds

Cloximate
CID 9571060
Ethanone, 1-(4-chlorophenyl)-, O-(2-(dimethylamino)ethyl)oxime, hydrochloride
CID 6510000
Ethanone, 1-(4-chlorophenyl)-, O-(2-(1-pyrrolidinyl)ethyl)oxime, hydrochloride
CID 6510002
Ethanone, 1-(4-chlorophenyl)-, O-(2-(1-piperidinyl)ethyl)oxime, hydrochloride
CID 6510003
Ethanone, 1-(4-chlorophenyl)-, O-(2-(4-morpholinyl)ethyl)oxime, hydrochloride
CID 6510004
1-(4-chlorophenyl)-2-piperidino-1-ethanone O-methyloxime
CID 5920297
Methanone, (2-chlorophenyl)(3-chlorophenyl)-, O-(2-(dimethylamino)ethyl)oxime, monohydrochloride
CID 6510229
Ammonium, (2-((3-chloro-5H-dibenzo(a,d)cyclohepten-5-ylideneamino)oxy)ethyl)trimethyl-, iodide
CID 6511644
Benzaldehyde, o-chloro-, O-(diethylaminoethyl)oxime, hydrochloride, (E)-
CID 9570666
Benzaldehyde, m-chloro-, O-(diethylaminoethyl)oxime, hydrochloride, (E)-
CID 9570668
Benzaldehyde, p-chloro-, O-(diethylaminoethyl)oxime, hydrochloride, (E)-
CID 9570670
Benzaldehyde, p-chloro-, O-(3-diethylaminopropyl)oxime hydrochloride, (E)-
CID 9570675

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-diethylethanamine;hydrochloride?
The IUPAC name of 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-diethylethanamine;hydrochloride (CID 6510001) is 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-diethylethanamine;hydrochloride.
What is the SMILES notation for 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-diethylethanamine;hydrochloride?
The canonical SMILES for 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-diethylethanamine;hydrochloride is CCN(CC)CCO/N=C(/C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-diethylethanamine;hydrochloride?
The InChIKey is UGPLUORMBKEGNT-PXJKFVASSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-4-17(5-2)10-11-18-16-12(3)13-6-8-14(15)9-7-13;/h6-9H,4-5,10-11H2,1-3H3;1H/b16-12-;.
What are the key properties of 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-diethylethanamine;hydrochloride?
2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-diethylethanamine;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 3.84, 7 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-diethylethanamine;hydrochloride is sourced from PubChem (CID 6510001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).