O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine

C12H19NO — CID 83698395

IUPACO-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(C(C)(C)C)ccc1CON
InChIInChI=1S/C12H19NO/c1-9-7-11(12(2,3)4)6-5-10(9)8-14-13/h5-7H,8,13H2,1-4H3
InChIKeyILDUJIWLBDYTBA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.68
Rot. Bonds2

About O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine

O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine (PubChem CID 83698395) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine
PubChem CID83698395
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameO-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(C(C)(C)C)ccc1CON
InChIInChI=1S/C12H19NO/c1-9-7-11(12(2,3)4)6-5-10(9)8-14-13/h5-7H,8,13H2,1-4H3
InChIKeyILDUJIWLBDYTBA-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine (CID 83698395) is O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine is Cc1cc(C(C)(C)C)ccc1CON.
What is the InChIKey of O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine?
The InChIKey is ILDUJIWLBDYTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-7-11(12(2,3)4)6-5-10(9)8-14-13/h5-7H,8,13H2,1-4H3.
What are the key properties of O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine?
O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine has a molecular weight of 193.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 83698395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).