O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine

C8H10BrNO — CID 20595379

IUPACO-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(Br)ccc1CON
InChIInChI=1S/C8H10BrNO/c1-6-4-8(9)3-2-7(6)5-11-10/h2-4H,5,10H2,1H3
InChIKeyYPUXTVARLYRKOI-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.15
Rot. Bonds2

About O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine

O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine (PubChem CID 20595379) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
PubChem CID20595379
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC NameO-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
SMILESCc1cc(Br)ccc1CON
InChIInChI=1S/C8H10BrNO/c1-6-4-8(9)3-2-7(6)5-11-10/h2-4H,5,10H2,1H3
InChIKeyYPUXTVARLYRKOI-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

4-bromo-1-(ethoxymethyl)-2-methylbenzene
CID 117219809
O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine
CID 83698395
O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117276532
O-[(6,7-dibromo-3-methylnaphthalen-2-yl)methyl]hydroxylamine
CID 20595391
(4-bromo-2-methylphenyl)methanamine;methanol
CID 142518771
4-bromo-1-(2-methoxypropan-2-yloxymethyl)-2-methylbenzene
CID 143914148
2-[(4-bromo-2-methylphenyl)methoxy]phenol
CID 117219489
4-bromo-1-(2-iodoethyl)-2-methylbenzene
CID 66577923
5-bromo-2-[(4-bromo-2-methylphenoxy)methyl]aniline
CID 114380845
O-(4-bromo-2-methylphenyl)hydroxylamine
CID 130500330
O-[(2-bromo-5-methylphenyl)methyl]hydroxylamine
CID 117307584
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149

Frequently Asked Questions

What is the IUPAC name of O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine (CID 20595379) is O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine is Cc1cc(Br)ccc1CON.
What is the InChIKey of O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine?
The InChIKey is YPUXTVARLYRKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-6-4-8(9)3-2-7(6)5-11-10/h2-4H,5,10H2,1H3.
What are the key properties of O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine?
O-[(4-bromo-2-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-[(4-bromo-2-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 20595379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).