[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride

C10H13Cl2NO3 — CID 146368556

IUPAC[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride
SMILESCC(=O)OOC(CN)c1ccccc1Cl.Cl
InChIInChI=1S/C10H12ClNO3.ClH/c1-7(13)14-15-10(6-12)8-4-2-3-5-9(8)11;/h2-5,10H,6,12H2,1H3;1H
InChIKeyIAOGYPLVMHXGSA-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.26
Rot. Bonds4

About [2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride

[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride (PubChem CID 146368556) has the molecular formula C10H13Cl2NO3 and a molecular weight of 266.12 g/mol. Its IUPAC name is [2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride.

Molecular Properties

Compound Name[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride
PubChem CID146368556
Molecular FormulaC10H13Cl2NO3
Molecular Weight266.12 g/mol
Exact Mass265.03
IUPAC Name[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride
SMILESCC(=O)OOC(CN)c1ccccc1Cl.Cl
InChIInChI=1S/C10H12ClNO3.ClH/c1-7(13)14-15-10(6-12)8-4-2-3-5-9(8)11;/h2-5,10H,6,12H2,1H3;1H
InChIKeyIAOGYPLVMHXGSA-UHFFFAOYSA-N
XLogP2.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
CID 53355739
[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
CID 59063100
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
1-(2-chlorophenyl)pentyl acetate
CID 141200843
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2-(2-chlorophenyl)-2-[(2-chlorophenyl)methoxy]ethanamine
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CID 55022375
2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275640
[(2S)-3-carbamoyloxy-2-(2-chlorophenyl)propyl] acetate
CID 67573538
(2-chlorophenyl) ethaneperoxoate
CID 23043492
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2-(2-chlorophenyl)-2-hexoxyethanamine
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Frequently Asked Questions

What is the IUPAC name of [2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride?
The IUPAC name of [2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride (CID 146368556) is [2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride.
What is the SMILES notation for [2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride?
The canonical SMILES for [2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride is CC(=O)OOC(CN)c1ccccc1Cl.Cl.
What is the InChIKey of [2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride?
The InChIKey is IAOGYPLVMHXGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3.ClH/c1-7(13)14-15-10(6-12)8-4-2-3-5-9(8)11;/h2-5,10H,6,12H2,1H3;1H.
What are the key properties of [2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride?
[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride has a molecular weight of 266.12 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride is sourced from PubChem (CID 146368556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).