N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine

C12H18BrNO2 — CID 117465362

IUPACN-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1c(CNO)cc(Br)cc1C(C)(C)C
InChIInChI=1S/C12H18BrNO2/c1-12(2,3)10-6-9(13)5-8(7-14-15)11(10)16-4/h5-6,14-15H,7H2,1-4H3
InChIKeyQEXFZQLWNZWPFZ-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.23
Rot. Bonds3

About N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine

N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine (PubChem CID 117465362) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine
PubChem CID117465362
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC NameN-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1c(CNO)cc(Br)cc1C(C)(C)C
InChIInChI=1S/C12H18BrNO2/c1-12(2,3)10-6-9(13)5-8(7-14-15)11(10)16-4/h5-6,14-15H,7H2,1-4H3
InChIKeyQEXFZQLWNZWPFZ-UHFFFAOYSA-N
XLogP3.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117351391
2-(5-bromo-3-tert-butyl-2-methoxyphenyl)acetic acid
CID 117485194
1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117499020
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4715898
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
5-bromo-1-(bromomethyl)-2-methoxy-3-(trifluoromethyl)benzene
CID 130153862
2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117481446
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115655918
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol
CID 112513655
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850641
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
CID 117288363

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine (CID 117465362) is N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine is COc1c(CNO)cc(Br)cc1C(C)(C)C.
What is the InChIKey of N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine?
The InChIKey is QEXFZQLWNZWPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-12(2,3)10-6-9(13)5-8(7-14-15)11(10)16-4/h5-6,14-15H,7H2,1-4H3.
What are the key properties of N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine?
N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine has a molecular weight of 288.19 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117465362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).