N-[(2-bromophenyl)methyl]-N-methylhydroxylamine

C8H10BrNO — CID 82613877

IUPACN-[(2-bromophenyl)methyl]-N-methylhydroxylamine
SMILESCN(O)Cc1ccccc1Br
InChIInChI=1S/C8H10BrNO/c1-10(11)6-7-4-2-3-5-8(7)9/h2-5,11H,6H2,1H3
InChIKeyYTWDLKSQPLODHZ-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.27
Rot. Bonds2

About N-[(2-bromophenyl)methyl]-N-methylhydroxylamine

N-[(2-bromophenyl)methyl]-N-methylhydroxylamine (PubChem CID 82613877) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methylhydroxylamine
PubChem CID82613877
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC NameN-[(2-bromophenyl)methyl]-N-methylhydroxylamine
SMILESCN(O)Cc1ccccc1Br
InChIInChI=1S/C8H10BrNO/c1-10(11)6-7-4-2-3-5-8(7)9/h2-5,11H,6H2,1H3
InChIKeyYTWDLKSQPLODHZ-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 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 ≤ 52.27
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

1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
1,1-bis[(2-bromophenyl)methyl]hydrazine
CID 175527496
N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine
CID 155291918
N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine
CID 90670860
3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol
CID 113353894
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
CID 61416488

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methylhydroxylamine (CID 82613877) is N-[(2-bromophenyl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methylhydroxylamine is CN(O)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methylhydroxylamine?
The InChIKey is YTWDLKSQPLODHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-10(11)6-7-4-2-3-5-8(7)9/h2-5,11H,6H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methylhydroxylamine?
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine has a molecular weight of 216.08 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 82613877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).