O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine

C13H20N2O3 — CID 117384193

IUPACO-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
SMILESCOc1ccc(CON)cc1CN1CCOCC1
InChIInChI=1S/C13H20N2O3/c1-16-13-3-2-11(10-18-14)8-12(13)9-15-4-6-17-7-5-15/h2-3,8H,4-7,9-10,14H2,1H3
InChIKeyLSQXIUQRIXYAJG-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.92
Rot. Bonds5

About O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine

O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine (PubChem CID 117384193) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
PubChem CID117384193
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameO-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
SMILESCOc1ccc(CON)cc1CN1CCOCC1
InChIInChI=1S/C13H20N2O3/c1-16-13-3-2-11(10-18-14)8-12(13)9-15-4-6-17-7-5-15/h2-3,8H,4-7,9-10,14H2,1H3
InChIKeyLSQXIUQRIXYAJG-UHFFFAOYSA-N
XLogP0.92
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121
N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylamino]butan-1-ol
CID 17216054
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 17216096
2-(3,4-dimethoxyphenyl)-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]ethanamine;dihydrochloride
CID 17216059
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704
1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625014
2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid
CID 117447646

Frequently Asked Questions

What is the IUPAC name of O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine (CID 117384193) is O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine is COc1ccc(CON)cc1CN1CCOCC1.
What is the InChIKey of O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine?
The InChIKey is LSQXIUQRIXYAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-16-13-3-2-11(10-18-14)8-12(13)9-15-4-6-17-7-5-15/h2-3,8H,4-7,9-10,14H2,1H3.
What are the key properties of O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine?
O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine has a molecular weight of 252.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117384193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).