4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol

C11H16BrNO2 — CID 107737979

IUPAC4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol
SMILESCC(C)(C)ONCc1cc(Br)ccc1O
InChIInChI=1S/C11H16BrNO2/c1-11(2,3)15-13-7-8-6-9(12)4-5-10(8)14/h4-6,13-14H,7H2,1-3H3
InChIKeyREUPGPCMEQQRBS-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.97
Rot. Bonds3

About 4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol

4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol (PubChem CID 107737979) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol
PubChem CID107737979
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol
SMILESCC(C)(C)ONCc1cc(Br)ccc1O
InChIInChI=1S/C11H16BrNO2/c1-11(2,3)15-13-7-8-6-9(12)4-5-10(8)14/h4-6,13-14H,7H2,1-3H3
InChIKeyREUPGPCMEQQRBS-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[[4-(trifluoromethoxy)anilino]methyl]phenol
CID 3727924
2-[(5-bromo-2-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850924
4-bromo-2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenol
CID 103838856
4-[(5-bromo-2-hydroxyphenyl)methylamino]benzoic acid
CID 70545209
4-bromo-2-[(but-2-ynylamino)methyl]phenol
CID 115866209
tert-butyl N-[3-[(5-bromo-2-hydroxyphenyl)methylamino]-2,2-difluoropropyl]carbamate
CID 107738048
tert-butyl N-[2-[(5-bromo-2-hydroxyphenyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107738040
4-bromo-2-[(2-propan-2-yloxyethylamino)methyl]phenol
CID 104588373
4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 45029997
4-bromo-2-[(2-ethoxypropylamino)methyl]phenol
CID 115655656
2-[[[3,5-bis[(5-bromo-2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]-4-bromophenol
CID 177414869
4-bromo-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 107737917

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol?
The IUPAC name of 4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol (CID 107737979) is 4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol?
The canonical SMILES for 4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol is CC(C)(C)ONCc1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol?
The InChIKey is REUPGPCMEQQRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-11(2,3)15-13-7-8-6-9(12)4-5-10(8)14/h4-6,13-14H,7H2,1-3H3.
What are the key properties of 4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol?
4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol has a molecular weight of 274.16 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[(2-methylpropan-2-yl)oxyamino]methyl]phenol is sourced from PubChem (CID 107737979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).