O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine

C17H21NO2 — CID 170603146

IUPACO-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine
SMILESCC(C)(C)COc1ccccc1-c1ccccc1ON
InChIInChI=1S/C17H21NO2/c1-17(2,3)12-19-15-10-6-4-8-13(15)14-9-5-7-11-16(14)20-18/h4-11H,12,18H2,1-3H3
InChIKeyKEJUQKRITRPAJI-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.03
Rot. Bonds4

About O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine

O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine (PubChem CID 170603146) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine
PubChem CID170603146
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameO-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine
SMILESCC(C)(C)COc1ccccc1-c1ccccc1ON
InChIInChI=1S/C17H21NO2/c1-17(2,3)12-19-15-10-6-4-8-13(15)14-9-5-7-11-16(14)20-18/h4-11H,12,18H2,1-3H3
InChIKeyKEJUQKRITRPAJI-UHFFFAOYSA-N
XLogP4.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 71245
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CID 7077
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Carvacryl ethyl ether
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CID 97354
2-Methoxybiphenyl
CID 6835
2-Biphenylyl phenyl ether
CID 81220
Benzyl Phenyl Ether
CID 70352
2-(((1,1'-Biphenyl)-2-yloxy)methyl)oxirane
CID 97875
Benzopyran
CID 9211
3,4-Bis(4-methoxyphenyl)hex-3-ene
CID 3032539
Oxirane, 2-((4-(1-methyl-1-phenylethyl)phenoxy)methyl)-
CID 62186

Frequently Asked Questions

What is the IUPAC name of O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine?
The IUPAC name of O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine (CID 170603146) is O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine.
What is the SMILES notation for O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine?
The canonical SMILES for O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine is CC(C)(C)COc1ccccc1-c1ccccc1ON.
What is the InChIKey of O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine?
The InChIKey is KEJUQKRITRPAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)12-19-15-10-6-4-8-13(15)14-9-5-7-11-16(14)20-18/h4-11H,12,18H2,1-3H3.
What are the key properties of O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine?
O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine has a molecular weight of 271.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine is sourced from PubChem (CID 170603146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).