N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine

C13H19NO4 — CID 115005268

IUPACN-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
SMILESCOc1ccc(CNO)cc1OC1CCCOC1
InChIInChI=1S/C13H19NO4/c1-16-12-5-4-10(8-14-15)7-13(12)18-11-3-2-6-17-9-11/h4-5,7,11,14-15H,2-3,6,8-9H2,1H3
InChIKeyPBXARGGBBXJZHK-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.73
Rot. Bonds5

About N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine

N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine (PubChem CID 115005268) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
PubChem CID115005268
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
SMILESCOc1ccc(CNO)cc1OC1CCCOC1
InChIInChI=1S/C13H19NO4/c1-16-12-5-4-10(8-14-15)7-13(12)18-11-3-2-6-17-9-11/h4-5,7,11,14-15H,2-3,6,8-9H2,1H3
InChIKeyPBXARGGBBXJZHK-UHFFFAOYSA-N
XLogP1.73
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one
CID 117415306
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
3-[5-(isocyanatomethyl)-2-methoxyphenoxy]oxane
CID 117412381
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850
1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
CID 117432335
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005118
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417571

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine (CID 115005268) is N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine is COc1ccc(CNO)cc1OC1CCCOC1.
What is the InChIKey of N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine?
The InChIKey is PBXARGGBBXJZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-16-12-5-4-10(8-14-15)7-13(12)18-11-3-2-6-17-9-11/h4-5,7,11,14-15H,2-3,6,8-9H2,1H3.
What are the key properties of N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine?
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine has a molecular weight of 253.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 115005268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).