N-(2-tert-butylphenyl)hydroxylamine;hydrochloride

C10H16ClNO — CID 175259638

IUPACN-(2-tert-butylphenyl)hydroxylamine;hydrochloride
SMILESCC(C)(C)c1ccccc1NO.Cl
InChIInChI=1S/C10H15NO.ClH/c1-10(2,3)8-6-4-5-7-9(8)11-12;/h4-7,11-12H,1-3H3;1H
InChIKeyPNCJTURMYIJSME-UHFFFAOYSA-N
MW201.70 g/mol
LogP3.21
Rot. Bonds1

About N-(2-tert-butylphenyl)hydroxylamine;hydrochloride

N-(2-tert-butylphenyl)hydroxylamine;hydrochloride (PubChem CID 175259638) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)hydroxylamine;hydrochloride
PubChem CID175259638
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC NameN-(2-tert-butylphenyl)hydroxylamine;hydrochloride
SMILESCC(C)(C)c1ccccc1NO.Cl
InChIInChI=1S/C10H15NO.ClH/c1-10(2,3)8-6-4-5-7-9(8)11-12;/h4-7,11-12H,1-3H3;1H
InChIKeyPNCJTURMYIJSME-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)hydroxylamine;hydrochloride?
The IUPAC name of N-(2-tert-butylphenyl)hydroxylamine;hydrochloride (CID 175259638) is N-(2-tert-butylphenyl)hydroxylamine;hydrochloride.
What is the SMILES notation for N-(2-tert-butylphenyl)hydroxylamine;hydrochloride?
The canonical SMILES for N-(2-tert-butylphenyl)hydroxylamine;hydrochloride is CC(C)(C)c1ccccc1NO.Cl.
What is the InChIKey of N-(2-tert-butylphenyl)hydroxylamine;hydrochloride?
The InChIKey is PNCJTURMYIJSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-10(2,3)8-6-4-5-7-9(8)11-12;/h4-7,11-12H,1-3H3;1H.
What are the key properties of N-(2-tert-butylphenyl)hydroxylamine;hydrochloride?
N-(2-tert-butylphenyl)hydroxylamine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)hydroxylamine;hydrochloride is sourced from PubChem (CID 175259638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).