N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride

C14H23ClN2O — CID 117067867

IUPACN,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride
SMILESCCN(CC)CCO/N=C(\C)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-16(5-2)11-12-17-15-13(3)14-9-7-6-8-10-14;/h6-10H,4-5,11-12H2,1-3H3;1H/b15-13+;
InChIKeyWOFWJYZVAJXNPU-GVYCEHEKSA-N
MW270.80 g/mol
LogP3.19
Rot. Bonds7

About N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride

N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride (PubChem CID 117067867) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride
PubChem CID117067867
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride
SMILESCCN(CC)CCO/N=C(\C)c1ccccc1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-4-16(5-2)11-12-17-15-13(3)14-9-7-6-8-10-14;/h6-10H,4-5,11-12H2,1-3H3;1H/b15-13+;
InChIKeyWOFWJYZVAJXNPU-GVYCEHEKSA-N
XLogP3.19
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.19
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

N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine
CID 6914257
N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine
CID 26478
N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine
CID 10242092
(E)-N-(2,2-dimethylpropoxy)-1-phenylethanimine
CID 88980385
1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine
CID 173208454
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
N,N-diethyl-2-[[1-(4-methylphenyl)-4-phenylbutylidene]amino]oxyethanamine
CID 173416033
(E)-1-phenyl-N-prop-2-ynoxyethanimine
CID 6113693
2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
CID 3059120
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 145071342
(4Z)-4-phenyl-4-[4-[(E)-1-phenylethylideneamino]oxybutoxyimino]butanoic acid
CID 46229742
N,N-diethyl-2-[[(4-fluorophenyl)-pyridin-3-ylmethylidene]amino]oxyethanamine;oxalic acid
CID 73449276

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride (CID 117067867) is N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride is CCN(CC)CCO/N=C(\C)c1ccccc1.Cl.
What is the InChIKey of N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride?
The InChIKey is WOFWJYZVAJXNPU-GVYCEHEKSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-4-16(5-2)11-12-17-15-13(3)14-9-7-6-8-10-14;/h6-10H,4-5,11-12H2,1-3H3;1H/b15-13+;.
What are the key properties of N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride?
N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine;hydrochloride is sourced from PubChem (CID 117067867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).