N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine

C10H12BrNO2 — CID 3581077

IUPACN-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine
SMILESCC(C)Oc1ccc(Br)cc1C=NO
InChIInChI=1S/C10H12BrNO2/c1-7(2)14-10-4-3-9(11)5-8(10)6-12-13/h3-7,13H,1-2H3
InChIKeyGULIYOQSYUIHLE-UHFFFAOYSA-N
MW258.12 g/mol
LogP3.04
Rot. Bonds3

About N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine

N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine (PubChem CID 3581077) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine
PubChem CID3581077
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC NameN-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine
SMILESCC(C)Oc1ccc(Br)cc1C=NO
InChIInChI=1S/C10H12BrNO2/c1-7(2)14-10-4-3-9(11)5-8(10)6-12-13/h3-7,13H,1-2H3
InChIKeyGULIYOQSYUIHLE-UHFFFAOYSA-N
XLogP3.04
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-3-[(E)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]urea
CID 6875439
(NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 90156005
N-[(E)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169137
N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657844
N'-[(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 4665681
N-[[5-bromo-2-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680629
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
4-bromo-2-methoxy-1-propan-2-yloxybenzene
CID 11149245
(NZ)-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5407965
N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990708
N-[(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 4309026
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine (CID 3581077) is N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine is CC(C)Oc1ccc(Br)cc1C=NO.
What is the InChIKey of N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine?
The InChIKey is GULIYOQSYUIHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7(2)14-10-4-3-9(11)5-8(10)6-12-13/h3-7,13H,1-2H3.
What are the key properties of N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine?
N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine has a molecular weight of 258.12 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 3581077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).