O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine

C12H17NO — CID 145139423

IUPACO-(2-tert-butyl-6-ethenylphenyl)hydroxylamine
SMILESC=Cc1cccc(C(C)(C)C)c1ON
InChIInChI=1S/C12H17NO/c1-5-9-7-6-8-10(11(9)14-13)12(2,3)4/h5-8H,1,13H2,2-4H3
InChIKeyHWWRTMZLHQTZMZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.88
Rot. Bonds2

About O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine

O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine (PubChem CID 145139423) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine.

Molecular Properties

Compound NameO-(2-tert-butyl-6-ethenylphenyl)hydroxylamine
PubChem CID145139423
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameO-(2-tert-butyl-6-ethenylphenyl)hydroxylamine
SMILESC=Cc1cccc(C(C)(C)C)c1ON
InChIInChI=1S/C12H17NO/c1-5-9-7-6-8-10(11(9)14-13)12(2,3)4/h5-8H,1,13H2,2-4H3
InChIKeyHWWRTMZLHQTZMZ-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butyl-6-ethenylphenyl) acetate
CID 10704049
O-(2-tert-butyl-6-propylphenyl)hydroxylamine
CID 155118579
1-tert-butyl-2-(4-tert-butylphenyl)-3-ethenylbenzene
CID 174720320
1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane
CID 162247147
1-ethenyl-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
CID 67824410
2-amino-2-(2-ethenylphenyl)propan-1-ol
CID 55294949
2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride
CID 173170448
[3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methanimine
CID 174897118
(2-tert-butyl-3-ethenylphenyl)methanamine
CID 175177636
(2R)-2-amino-2-(2-ethenylphenyl)propanoic acid
CID 130657894
1,2-bis(ethenyl)benzene;platinum
CID 175428021
CID 67878092
CID 67878092

Frequently Asked Questions

What is the IUPAC name of O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine?
The IUPAC name of O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine (CID 145139423) is O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine.
What is the SMILES notation for O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine?
The canonical SMILES for O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine is C=Cc1cccc(C(C)(C)C)c1ON.
What is the InChIKey of O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine?
The InChIKey is HWWRTMZLHQTZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-9-7-6-8-10(11(9)14-13)12(2,3)4/h5-8H,1,13H2,2-4H3.
What are the key properties of O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine?
O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine has a molecular weight of 191.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine is sourced from PubChem (CID 145139423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).