N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine

C12H18N2O2 — CID 163917311

IUPACN-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine
SMILESCCc1ccc(N2CCOCC2)cc1NO
InChIInChI=1S/C12H18N2O2/c1-2-10-3-4-11(9-12(10)13-15)14-5-7-16-8-6-14/h3-4,9,13,15H,2,5-8H2,1H3
InChIKeyQXJKQDYMHBYQIA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.89
Rot. Bonds3

About N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine

N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine (PubChem CID 163917311) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine.

Molecular Properties

Compound NameN-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine
PubChem CID163917311
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine
SMILESCCc1ccc(N2CCOCC2)cc1NO
InChIInChI=1S/C12H18N2O2/c1-2-10-3-4-11(9-12(10)13-15)14-5-7-16-8-6-14/h3-4,9,13,15H,2,5-8H2,1H3
InChIKeyQXJKQDYMHBYQIA-UHFFFAOYSA-N
XLogP1.89
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine?
The IUPAC name of N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine (CID 163917311) is N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine.
What is the SMILES notation for N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine?
The canonical SMILES for N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine is CCc1ccc(N2CCOCC2)cc1NO.
What is the InChIKey of N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine?
The InChIKey is QXJKQDYMHBYQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-10-3-4-11(9-12(10)13-15)14-5-7-16-8-6-14/h3-4,9,13,15H,2,5-8H2,1H3.
What are the key properties of N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine?
N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine has a molecular weight of 222.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine is sourced from PubChem (CID 163917311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).