O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine

C13H19NO3 — CID 117347185

IUPACO-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1cccc(CCON)c1OC1CCC1
InChIInChI=1S/C13H19NO3/c1-15-12-7-2-4-10(8-9-16-14)13(12)17-11-5-3-6-11/h2,4,7,11H,3,5-6,8-9,14H2,1H3
InChIKeyPOBGPRJZBXYOHK-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.06
Rot. Bonds6

About O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine

O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine (PubChem CID 117347185) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine
PubChem CID117347185
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameO-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1cccc(CCON)c1OC1CCC1
InChIInChI=1S/C13H19NO3/c1-15-12-7-2-4-10(8-9-16-14)13(12)17-11-5-3-6-11/h2,4,7,11H,3,5-6,8-9,14H2,1H3
InChIKeyPOBGPRJZBXYOHK-UHFFFAOYSA-N
XLogP2.06
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
CID 82927927
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117486423
3-[3-methoxy-2-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451966
2-cyclobutyloxy-1-(isocyanatomethyl)-3-methoxybenzene
CID 117338039
[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
CID 117052051
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
4-[3-(2-cyclopentyloxy-3-methoxyphenyl)propyl]morpholine
CID 170870157
(2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide
CID 119324261

Frequently Asked Questions

What is the IUPAC name of O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine (CID 117347185) is O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine is COc1cccc(CCON)c1OC1CCC1.
What is the InChIKey of O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine?
The InChIKey is POBGPRJZBXYOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-12-7-2-4-10(8-9-16-14)13(12)17-11-5-3-6-11/h2,4,7,11H,3,5-6,8-9,14H2,1H3.
What are the key properties of O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine?
O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine has a molecular weight of 237.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117347185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).