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

C12H17ClN2O — CID 6914396

IUPAC2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
SMILESC/C(=N/OCCN(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/b14-10-
InChIKeyZEWPZWZBVHCPOR-UVTDQMKNSA-N
MW240.73 g/mol
LogP2.64
Rot. Bonds5

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

2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine (PubChem CID 6914396) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
PubChem CID6914396
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
SMILESC/C(=N/OCCN(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/b14-10-
InChIKeyZEWPZWZBVHCPOR-UVTDQMKNSA-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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Related Compounds

2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
CID 3059120
2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride
CID 74379261
N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine
CID 6914257
(E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine
CID 10517282
N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride
CID 117067867
2-[4-[(Z)-1,3-bis(4-chlorophenyl)-2-methylprop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 162640325
5-[4-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxybutyl]-2-methyl-1,3-dioxane-2-carboxylic acid
CID 24762973
[(Z)-[1-amino-2-(4-methoxyphenoxy)ethylidene]amino] 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate
CID 91970379
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
(E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine
CID 142638631
2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol
CID 173297287
2-[4-[(Z)-4-chloro-1,2-bis(4-chlorophenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 10116364

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine (CID 6914396) is 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine is C/C(=N/OCCN(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine?
The InChIKey is ZEWPZWZBVHCPOR-UVTDQMKNSA-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/b14-10-.
What are the key properties of 2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine?
2-[(Z)-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-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 6914396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).