N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine

C14H20N2O3 — CID 79171845

IUPACN-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(OCC2CN(C)CCO2)cc1
InChIInChI=1S/C14H20N2O3/c1-11(15-17)12-3-5-13(6-4-12)19-10-14-9-16(2)7-8-18-14/h3-6,14,17H,7-10H2,1-2H3
InChIKeyGKTFLOUYSNSZHD-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.59
Rot. Bonds4

About N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine

N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 79171845) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
PubChem CID79171845
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(OCC2CN(C)CCO2)cc1
InChIInChI=1S/C14H20N2O3/c1-11(15-17)12-3-5-13(6-4-12)19-10-14-9-16(2)7-8-18-14/h3-6,14,17H,7-10H2,1-2H3
InChIKeyGKTFLOUYSNSZHD-UHFFFAOYSA-N
XLogP1.59
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine (CID 79171845) is N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine is CC(=NO)c1ccc(OCC2CN(C)CCO2)cc1.
What is the InChIKey of N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is GKTFLOUYSNSZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(15-17)12-3-5-13(6-4-12)19-10-14-9-16(2)7-8-18-14/h3-6,14,17H,7-10H2,1-2H3.
What are the key properties of N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine?
N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 264.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 79171845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).