O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine

C13H20N2O3 — CID 117384188

IUPACO-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine
SMILESCOc1ccc(CCON)cc1OC1CN(C)C1
InChIInChI=1S/C13H20N2O3/c1-15-8-11(9-15)18-13-7-10(5-6-17-14)3-4-12(13)16-2/h3-4,7,11H,5-6,8-9,14H2,1-2H3
InChIKeyHQJWFBGWFIRKND-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.82
Rot. Bonds6

About O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine

O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine (PubChem CID 117384188) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine
PubChem CID117384188
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameO-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine
SMILESCOc1ccc(CCON)cc1OC1CN(C)C1
InChIInChI=1S/C13H20N2O3/c1-15-8-11(9-15)18-13-7-10(5-6-17-14)3-4-12(13)16-2/h3-4,7,11H,5-6,8-9,14H2,1-2H3
InChIKeyHQJWFBGWFIRKND-UHFFFAOYSA-N
XLogP0.82
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.82
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

O-[2-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117450339
3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117417024
O-[2-[4-methoxy-3-(thian-3-yloxy)phenyl]ethyl]hydroxylamine
CID 117455774
O-[2-(4-methoxy-3-piperidin-3-yloxyphenyl)ethyl]hydroxylamine
CID 117420163
2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine
CID 117442925
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol
CID 117448362
O-[2-(3-cyclohexyl-4-methoxyphenyl)ethyl]hydroxylamine
CID 117377552
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117473467
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420170
3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine
CID 115005357
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425

Frequently Asked Questions

What is the IUPAC name of O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine (CID 117384188) is O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine is COc1ccc(CCON)cc1OC1CN(C)C1.
What is the InChIKey of O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine?
The InChIKey is HQJWFBGWFIRKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15-8-11(9-15)18-13-7-10(5-6-17-14)3-4-12(13)16-2/h3-4,7,11H,5-6,8-9,14H2,1-2H3.
What are the key properties of O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine?
O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine has a molecular weight of 252.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117384188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).