5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol

C14H15NO4 — CID 154990277

IUPAC5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol
SMILESNCCc1ccc(OOc2ccccc2O)c(O)c1
InChIInChI=1S/C14H15NO4/c15-8-7-10-5-6-14(12(17)9-10)19-18-13-4-2-1-3-11(13)16/h1-6,9,16-17H,7-8,15H2
InChIKeyVSAANUYHVKPNPN-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.97
Rot. Bonds5

About 5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol

5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol (PubChem CID 154990277) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol
PubChem CID154990277
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol
SMILESNCCc1ccc(OOc2ccccc2O)c(O)c1
InChIInChI=1S/C14H15NO4/c15-8-7-10-5-6-14(12(17)9-10)19-18-13-4-2-1-3-11(13)16/h1-6,9,16-17H,7-8,15H2
InChIKeyVSAANUYHVKPNPN-UHFFFAOYSA-N
XLogP1.97
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
CID 159860777
CID 159860777
4-(2-aminoethyl)benzene-1,2-diol;nickel
CID 175198518
4-(2-aminoethyl)benzene-1,2-diol;methane
CID 175755753
strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride
CID 174942711
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
ethene;2-(2-hydroxyphenyl)peroxyphenol
CID 163415506
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
4-(2-aminoethyl)-2-(trifluoromethoxy)phenol
CID 170868556
4-(2-aminoethyl)-2-(aminomethyl)phenol
CID 105433039
2-(4-fluoro-3-phenoxyphenyl)ethanamine
CID 170887829
2-[5-(2-aminoethyl)-2-methylphenyl]phenol
CID 115036237

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol?
The IUPAC name of 5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol (CID 154990277) is 5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol.
What is the SMILES notation for 5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol?
The canonical SMILES for 5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol is NCCc1ccc(OOc2ccccc2O)c(O)c1.
What is the InChIKey of 5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol?
The InChIKey is VSAANUYHVKPNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c15-8-7-10-5-6-14(12(17)9-10)19-18-13-4-2-1-3-11(13)16/h1-6,9,16-17H,7-8,15H2.
What are the key properties of 5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol?
5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol has a molecular weight of 261.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol is sourced from PubChem (CID 154990277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).