O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine

C11H15ClN2O — CID 117111225

IUPACO-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine
SMILESNOCc1c(Cl)cccc1N1CCCC1
InChIInChI=1S/C11H15ClN2O/c12-10-4-3-5-11(9(10)8-15-13)14-6-1-2-7-14/h3-5H,1-2,6-8,13H2
InChIKeyHIIYUPZODCECHU-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.33
Rot. Bonds3

About O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine

O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine (PubChem CID 117111225) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine
PubChem CID117111225
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameO-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine
SMILESNOCc1c(Cl)cccc1N1CCCC1
InChIInChI=1S/C11H15ClN2O/c12-10-4-3-5-11(9(10)8-15-13)14-6-1-2-7-14/h3-5H,1-2,6-8,13H2
InChIKeyHIIYUPZODCECHU-UHFFFAOYSA-N
XLogP2.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.33
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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Related Compounds

[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611
[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine
CID 65283852
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
CID 43280283
1-[2-(bromomethyl)-3-chlorophenyl]-4-methyl-1,4-diazepane
CID 107079656
[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
CID 43581765
1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 63624469
1-[3-chloro-2-(chloromethyl)phenyl]-3-methylpiperidine
CID 43121145
N-[[2-(azepan-1-yl)-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63566563
2-(azocan-1-yl)-6-chlorobenzenecarbothioamide
CID 62502107
4-[3-chloro-2-(chloromethyl)phenyl]morpholine
CID 28946203

Frequently Asked Questions

What is the IUPAC name of O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine (CID 117111225) is O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine is NOCc1c(Cl)cccc1N1CCCC1.
What is the InChIKey of O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine?
The InChIKey is HIIYUPZODCECHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-10-4-3-5-11(9(10)8-15-13)14-6-1-2-7-14/h3-5H,1-2,6-8,13H2.
What are the key properties of O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine?
O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine has a molecular weight of 226.71 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117111225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).