N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine

C12H14Cl2N2O2 — CID 164862221

IUPACN-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine
SMILESON=C(CN1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c13-10-2-1-9(7-11(10)14)12(15-17)8-16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2
InChIKeyXVCGPALWBADZCH-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.50
Rot. Bonds3

About N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine

N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine (PubChem CID 164862221) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine
PubChem CID164862221
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC NameN-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine
SMILESON=C(CN1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2/c13-10-2-1-9(7-11(10)14)12(15-17)8-16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2
InChIKeyXVCGPALWBADZCH-UHFFFAOYSA-N
XLogP2.50
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-Dichlorophenethyl)Morpholine
CID 71716507
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
(Z)-1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine
CID 6914399
(Z)-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethoxy)ethanimine
CID 6914400
(NE)-N-[1-(4-chlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine;hydrochloride
CID 24197575
(NZ)-N-[1-(4-chlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine;hydrochloride
CID 24197576
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine;hydrochloride
CID 3059125
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethoxy)ethanimine
CID 3059126
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethoxy)ethanimine;hydrochloride
CID 3059127
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethoxy)ethanimine
CID 3059128
(E)-1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropoxy)methanimine
CID 21947359

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine (CID 164862221) is N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine is ON=C(CN1CCOCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine?
The InChIKey is XVCGPALWBADZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-10-2-1-9(7-11(10)14)12(15-17)8-16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2.
What are the key properties of N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine?
N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine has a molecular weight of 289.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine is sourced from PubChem (CID 164862221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).