O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine

C12H17ClN2O — CID 117354257

IUPACO-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine
SMILESNOCCc1ccc(N2CCCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c13-11-9-10(5-8-16-14)3-4-12(11)15-6-1-2-7-15/h3-4,9H,1-2,5-8,14H2
InChIKeyYUMJVACEFNKPMK-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.37
Rot. Bonds4

About O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine

O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine (PubChem CID 117354257) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine
PubChem CID117354257
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameO-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine
SMILESNOCCc1ccc(N2CCCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c13-11-9-10(5-8-16-14)3-4-12(11)15-6-1-2-7-15/h3-4,9H,1-2,5-8,14H2
InChIKeyYUMJVACEFNKPMK-UHFFFAOYSA-N
XLogP2.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine (CID 117354257) is O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine is NOCCc1ccc(N2CCCC2)c(Cl)c1.
What is the InChIKey of O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine?
The InChIKey is YUMJVACEFNKPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-9-10(5-8-16-14)3-4-12(11)15-6-1-2-7-15/h3-4,9H,1-2,5-8,14H2.
What are the key properties of O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine?
O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine has a molecular weight of 240.73 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117354257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).