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

C13H20N2O — CID 117314821

IUPACO-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
SMILESCN1CCC(c2cccc(CCON)c2)C1
InChIInChI=1S/C13H20N2O/c1-15-7-5-13(10-15)12-4-2-3-11(9-12)6-8-16-14/h2-4,9,13H,5-8,10,14H2,1H3
InChIKeyASPKECWGNHJQCK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.54
Rot. Bonds4

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

O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine (PubChem CID 117314821) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
PubChem CID117314821
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameO-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
SMILESCN1CCC(c2cccc(CCON)c2)C1
InChIInChI=1S/C13H20N2O/c1-15-7-5-13(10-15)12-4-2-3-11(9-12)6-8-16-14/h2-4,9,13H,5-8,10,14H2,1H3
InChIKeyASPKECWGNHJQCK-UHFFFAOYSA-N
XLogP1.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.54
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-(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-bromo-4-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
CID 117482086
1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine
CID 117333062
2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 116988517
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine
CID 115032201
2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine
CID 116988801
3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine
CID 115040370
[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine
CID 116988532
3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
CID 116988525
CID 176580102
CID 176580102
2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol
CID 115032728
CID 176580101
CID 176580101

Frequently Asked Questions

What is the IUPAC name of O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine (CID 117314821) is O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine is CN1CCC(c2cccc(CCON)c2)C1.
What is the InChIKey of O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine?
The InChIKey is ASPKECWGNHJQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-7-5-13(10-15)12-4-2-3-11(9-12)6-8-16-14/h2-4,9,13H,5-8,10,14H2,1H3.
What are the key properties of O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine?
O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine has a molecular weight of 220.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117314821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).