O-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine

C11H17NO — CID 83683498

IUPACO-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine
SMILESCc1ccc(C(C)(C)CON)cc1
InChIInChI=1S/C11H17NO/c1-9-4-6-10(7-5-9)11(2,3)8-13-12/h4-7H,8,12H2,1-3H3
InChIKeyFTGMNFBNRYADLF-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.16
Rot. Bonds3

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

O-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine (PubChem CID 83683498) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is O-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine
PubChem CID83683498
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameO-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine
SMILESCc1ccc(C(C)(C)CON)cc1
InChIInChI=1S/C11H17NO/c1-9-4-6-10(7-5-9)11(2,3)8-13-12/h4-7H,8,12H2,1-3H3
InChIKeyFTGMNFBNRYADLF-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.16
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-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine?
The IUPAC name of O-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine (CID 83683498) is O-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine.
What is the SMILES notation for O-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine?
The canonical SMILES for O-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine is Cc1ccc(C(C)(C)CON)cc1.
What is the InChIKey of O-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine?
The InChIKey is FTGMNFBNRYADLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-4-6-10(7-5-9)11(2,3)8-13-12/h4-7H,8,12H2,1-3H3.
What are the key properties of O-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine?
O-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine has a molecular weight of 179.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-methyl-2-(4-methylphenyl)propyl]hydroxylamine is sourced from PubChem (CID 83683498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).