O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine

C13H19BrN2O — CID 117482086

IUPACO-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
SMILESCN1CCC(c2ccc(CCON)cc2Br)C1
InChIInChI=1S/C13H19BrN2O/c1-16-6-4-11(9-16)12-3-2-10(5-7-17-15)8-13(12)14/h2-3,8,11H,4-7,9,15H2,1H3
InChIKeyHNTXSFVIZIQQPB-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.30
Rot. Bonds4

About O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine

O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine (PubChem CID 117482086) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
PubChem CID117482086
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameO-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
SMILESCN1CCC(c2ccc(CCON)cc2Br)C1
InChIInChI=1S/C13H19BrN2O/c1-16-6-4-11(9-16)12-3-2-10(5-7-17-15)8-13(12)14/h2-3,8,11H,4-7,9,15H2,1H3
InChIKeyHNTXSFVIZIQQPB-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]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

O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
CID 117314821
4-[3-bromo-4-(1-methylazetidin-3-yl)phenyl]butan-1-amine
CID 117478707
3-bromo-4-(1-methylpyrrolidin-3-yl)benzaldehyde
CID 83844673
O-[2-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117450339
1-[3-bromo-4-(1-methylpiperidin-4-yl)phenyl]propan-2-one
CID 117495014
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine
CID 117384986
O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine
CID 117387845
O-[2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117384188
N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine
CID 117354255
4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine
CID 116988351
O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine
CID 117339727
O-[2-(3-cyclohexyl-4-methoxyphenyl)ethyl]hydroxylamine
CID 117377552

Frequently Asked Questions

What is the IUPAC name of O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine (CID 117482086) is O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine is CN1CCC(c2ccc(CCON)cc2Br)C1.
What is the InChIKey of O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine?
The InChIKey is HNTXSFVIZIQQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16-6-4-11(9-16)12-3-2-10(5-7-17-15)8-13(12)14/h2-3,8,11H,4-7,9,15H2,1H3.
What are the key properties of O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine?
O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine has a molecular weight of 299.21 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[3-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117482086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).