N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine

C8H9BrFNO — CID 84796697

IUPACN-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(Br)cc(CNO)c1F
InChIInChI=1S/C8H9BrFNO/c1-5-2-7(9)3-6(4-11-12)8(5)10/h2-3,11-12H,4H2,1H3
InChIKeyWFNVTAGPGPNGGZ-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.38
Rot. Bonds2

About N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine

N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine (PubChem CID 84796697) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine
PubChem CID84796697
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC NameN-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(Br)cc(CNO)c1F
InChIInChI=1S/C8H9BrFNO/c1-5-2-7(9)3-6(4-11-12)8(5)10/h2-3,11-12H,4H2,1H3
InChIKeyWFNVTAGPGPNGGZ-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 162422353
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149
3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol
CID 117369472
N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine
CID 117111115
(5-bromo-2-fluoro-3-methylphenyl)methyl acetate
CID 130140647
3-(5-bromo-2-fluoro-3-methylphenyl)propanal
CID 117363991
1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117398401
N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine
CID 84765584
N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84807331
4-bromo-3-fluoro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117382986
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84771311
4-bromo-2-(ethylaminomethyl)-6-methylphenol
CID 112553820

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine (CID 84796697) is N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine is Cc1cc(Br)cc(CNO)c1F.
What is the InChIKey of N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine?
The InChIKey is WFNVTAGPGPNGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-5-2-7(9)3-6(4-11-12)8(5)10/h2-3,11-12H,4H2,1H3.
What are the key properties of N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine?
N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine has a molecular weight of 234.07 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 84796697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).