N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine

C10H11BrFNO2 — CID 117441591

IUPACN-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine
SMILESONCc1cc(F)cc(Br)c1OC1CC1
InChIInChI=1S/C10H11BrFNO2/c11-9-4-7(12)3-6(5-13-14)10(9)15-8-1-2-8/h3-4,8,13-14H,1-2,5H2
InChIKeyFMNMCVSVSYGLBX-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.61
Rot. Bonds4

About N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine

N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine (PubChem CID 117441591) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine
PubChem CID117441591
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC NameN-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine
SMILESONCc1cc(F)cc(Br)c1OC1CC1
InChIInChI=1S/C10H11BrFNO2/c11-9-4-7(12)3-6(5-13-14)10(9)15-8-1-2-8/h3-4,8,13-14H,1-2,5H2
InChIKeyFMNMCVSVSYGLBX-UHFFFAOYSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.61
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

(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methanol
CID 84710384
1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
CID 117486565
2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol
CID 117468296
1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
CID 117489126
N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 117280060
1-bromo-2-cyclohexyloxy-3,5-difluorobenzene
CID 146004216
(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol
CID 84709075
2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
CID 117486544
3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine
CID 117498027
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol
CID 117459055
3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid
CID 117424223
2-bromo-6-(cyclopentylmethyl)-4-fluorophenol
CID 70915460

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine (CID 117441591) is N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine is ONCc1cc(F)cc(Br)c1OC1CC1.
What is the InChIKey of N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine?
The InChIKey is FMNMCVSVSYGLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c11-9-4-7(12)3-6(5-13-14)10(9)15-8-1-2-8/h3-4,8,13-14H,1-2,5H2.
What are the key properties of N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine?
N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine has a molecular weight of 276.11 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 117441591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).