N-[2-(3-bromophenyl)ethyl]hydroxylamine

C8H10BrNO — CID 105469369

IUPACN-[2-(3-bromophenyl)ethyl]hydroxylamine
SMILESONCCc1cccc(Br)c1
InChIInChI=1S/C8H10BrNO/c9-8-3-1-2-7(6-8)4-5-10-11/h1-3,6,10-11H,4-5H2
InChIKeyCQMAZRAIFPQKSW-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.97
Rot. Bonds3

About N-[2-(3-bromophenyl)ethyl]hydroxylamine

N-[2-(3-bromophenyl)ethyl]hydroxylamine (PubChem CID 105469369) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)ethyl]hydroxylamine
PubChem CID105469369
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC NameN-[2-(3-bromophenyl)ethyl]hydroxylamine
SMILESONCCc1cccc(Br)c1
InChIInChI=1S/C8H10BrNO/c9-8-3-1-2-7(6-8)4-5-10-11/h1-3,6,10-11H,4-5H2
InChIKeyCQMAZRAIFPQKSW-UHFFFAOYSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3-bromophenyl)ethyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(bromomethyl)-2-(3-bromophenyl)ethanamine
CID 115262293
2-(3-bromophenyl)ethanol
CID 2734090
3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
N-[2-(3-bromophenyl)ethyl]-4-fluoroaniline
CID 76852078
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
N'-[2-(3-bromophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202154
4-(3-bromophenyl)-1-chlorobutan-2-one
CID 39361872
3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide
CID 115180792
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049
3-(3-bromophenyl)propanamide
CID 20823841
3-(3-bromophenyl)propanoyl chloride
CID 12607235

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)ethyl]hydroxylamine?
The IUPAC name of N-[2-(3-bromophenyl)ethyl]hydroxylamine (CID 105469369) is N-[2-(3-bromophenyl)ethyl]hydroxylamine.
What is the SMILES notation for N-[2-(3-bromophenyl)ethyl]hydroxylamine?
The canonical SMILES for N-[2-(3-bromophenyl)ethyl]hydroxylamine is ONCCc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)ethyl]hydroxylamine?
The InChIKey is CQMAZRAIFPQKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c9-8-3-1-2-7(6-8)4-5-10-11/h1-3,6,10-11H,4-5H2.
What are the key properties of N-[2-(3-bromophenyl)ethyl]hydroxylamine?
N-[2-(3-bromophenyl)ethyl]hydroxylamine has a molecular weight of 216.08 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)ethyl]hydroxylamine is sourced from PubChem (CID 105469369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).