O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine

C13H21NO — CID 70814269

IUPACO-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine
SMILESCc1cc(C(C)C)c(ON)c(C(C)C)c1
InChIInChI=1S/C13H21NO/c1-8(2)11-6-10(5)7-12(9(3)4)13(11)15-14/h6-9H,14H2,1-5H3
InChIKeyVGTMMGARSMNPMA-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.49
Rot. Bonds3

About O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine

O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine (PubChem CID 70814269) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine.

Molecular Properties

Compound NameO-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine
PubChem CID70814269
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameO-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine
SMILESCc1cc(C(C)C)c(ON)c(C(C)C)c1
InChIInChI=1S/C13H21NO/c1-8(2)11-6-10(5)7-12(9(3)4)13(11)15-14/h6-9H,14H2,1-5H3
InChIKeyVGTMMGARSMNPMA-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.49
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-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
2-methyl-3-[[4-methyl-2,6-di(propan-2-yl)phenoxy]methyl]oxirane
CID 151210441
N,4-dimethyl-2,6-di(propan-2-yl)aniline
CID 154688627
2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride
CID 174405016
1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
CID 58029447
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine
CID 117343739
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 20697925
3-(1-aminoethyl)-2-methoxy-5-methylaniline
CID 82630793
1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine
CID 84681000
(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
CID 84665068
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
(4-methyl-2-propan-2-ylphenyl)hydrazine
CID 169152361

Frequently Asked Questions

What is the IUPAC name of O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine?
The IUPAC name of O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine (CID 70814269) is O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine.
What is the SMILES notation for O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine?
The canonical SMILES for O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine is Cc1cc(C(C)C)c(ON)c(C(C)C)c1.
What is the InChIKey of O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine?
The InChIKey is VGTMMGARSMNPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-8(2)11-6-10(5)7-12(9(3)4)13(11)15-14/h6-9H,14H2,1-5H3.
What are the key properties of O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine?
O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine has a molecular weight of 207.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine is sourced from PubChem (CID 70814269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).