O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine

C8H10BrNO — CID 117307584

IUPACO-[(2-bromo-5-methylphenyl)methyl]hydroxylamine
SMILESCc1ccc(Br)c(CON)c1
InChIInChI=1S/C8H10BrNO/c1-6-2-3-8(9)7(4-6)5-11-10/h2-4H,5,10H2,1H3
InChIKeyRHLACRWGXSFTHO-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.15
Rot. Bonds2

About O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine

O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine (PubChem CID 117307584) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-bromo-5-methylphenyl)methyl]hydroxylamine
PubChem CID117307584
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC NameO-[(2-bromo-5-methylphenyl)methyl]hydroxylamine
SMILESCc1ccc(Br)c(CON)c1
InChIInChI=1S/C8H10BrNO/c1-6-2-3-8(9)7(4-6)5-11-10/h2-4H,5,10H2,1H3
InChIKeyRHLACRWGXSFTHO-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-[(2-fluoro-5-methylphenyl)methyl]hydroxylamine
CID 83808202
O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine
CID 117345694
1-bromo-2-ethyl-4-methylbenzene;ethane
CID 153401137
O-[(2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117276043
2-(2-bromo-5-methylphenyl)acetamide
CID 71440517
O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine
CID 117296439
2-(2-bromo-5-methylphenyl)acetonitrile
CID 59396519
O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 20595379
1-[(2-bromo-5-methylphenyl)methoxy]-5-methylnaphthalene
CID 20721268
O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine
CID 20595391
N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine
CID 81110490
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646

Frequently Asked Questions

What is the IUPAC name of O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine (CID 117307584) is O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine is Cc1ccc(Br)c(CON)c1.
What is the InChIKey of O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine?
The InChIKey is RHLACRWGXSFTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-6-2-3-8(9)7(4-6)5-11-10/h2-4H,5,10H2,1H3.
What are the key properties of O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine?
O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine has a molecular weight of 216.08 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117307584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).