O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine

C15H25NO2 — CID 117382145

IUPACO-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine
SMILESCOc1c(C(C)C)ccc(C(C)C)c1CCON
InChIInChI=1S/C15H25NO2/c1-10(2)12-6-7-13(11(3)4)15(17-5)14(12)8-9-18-16/h6-7,10-11H,8-9,16H2,1-5H3
InChIKeyHPVVDBLJGDXTNW-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.37
Rot. Bonds6

About O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine

O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine (PubChem CID 117382145) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine
PubChem CID117382145
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameO-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine
SMILESCOc1c(C(C)C)ccc(C(C)C)c1CCON
InChIInChI=1S/C15H25NO2/c1-10(2)12-6-7-13(11(3)4)15(17-5)14(12)8-9-18-16/h6-7,10-11H,8-9,16H2,1-5H3
InChIKeyHPVVDBLJGDXTNW-UHFFFAOYSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-[(2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine
CID 117299206
1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-ol
CID 117379906
1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one
CID 117374493
O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine
CID 117361513
3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol
CID 117409388
(2,3-dimethoxy-6-propan-2-ylphenyl)methanol
CID 84677822
O-[2-(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)ethyl]hydroxylamine
CID 117403660
O-[2-[2-(difluoromethyl)-6-methoxyphenyl]ethyl]hydroxylamine
CID 117308959
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
O-[2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355268
2-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-1-ol
CID 117379900
O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355228

Frequently Asked Questions

What is the IUPAC name of O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine (CID 117382145) is O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine is COc1c(C(C)C)ccc(C(C)C)c1CCON.
What is the InChIKey of O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine?
The InChIKey is HPVVDBLJGDXTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(2)12-6-7-13(11(3)4)15(17-5)14(12)8-9-18-16/h6-7,10-11H,8-9,16H2,1-5H3.
What are the key properties of O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine?
O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine has a molecular weight of 251.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117382145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).