2-amino-1-hydroperoxy-1-phenylethanol

C8H11NO3 — CID 87472003

IUPAC2-amino-1-hydroperoxy-1-phenylethanol
SMILESNCC(O)(OO)c1ccccc1
InChIInChI=1S/C8H11NO3/c9-6-8(10,12-11)7-4-2-1-3-5-7/h1-5,10-11H,6,9H2
InChIKeySAEYBVGVEIRFIB-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.28
Rot. Bonds3

About 2-amino-1-hydroperoxy-1-phenylethanol

2-amino-1-hydroperoxy-1-phenylethanol (PubChem CID 87472003) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-amino-1-hydroperoxy-1-phenylethanol.

Molecular Properties

Compound Name2-amino-1-hydroperoxy-1-phenylethanol
PubChem CID87472003
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-amino-1-hydroperoxy-1-phenylethanol
SMILESNCC(O)(OO)c1ccccc1
InChIInChI=1S/C8H11NO3/c9-6-8(10,12-11)7-4-2-1-3-5-7/h1-5,10-11H,6,9H2
InChIKeySAEYBVGVEIRFIB-UHFFFAOYSA-N
XLogP0.28
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
2,2-diphenylpropane-1,3-diamine
CID 22150718
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
2-amino-1-(2,6-dimethoxyphenyl)-1-phenylethanol
CID 116809834
1,1-diphenylethane-1,2-diamine;platinum
CID 174501053
1,1-diphenylethane-1,2-diamine;hydrochloride
CID 139989781
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol
CID 69398907
2-amino-1-cyclopropyl-1-phenylethanol
CID 71683828
1-(2-hydroxypropoxy)-1-phenylpropan-1-ol
CID 174629308
1-(1,3-dihydroxy-1-phenylbutoxy)-1-phenylbutane-1,3-diol
CID 173407184
1-phenyl-1-propan-2-yloxyethane-1,2-diamine
CID 91418731

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-hydroperoxy-1-phenylethanol?
The IUPAC name of 2-amino-1-hydroperoxy-1-phenylethanol (CID 87472003) is 2-amino-1-hydroperoxy-1-phenylethanol.
What is the SMILES notation for 2-amino-1-hydroperoxy-1-phenylethanol?
The canonical SMILES for 2-amino-1-hydroperoxy-1-phenylethanol is NCC(O)(OO)c1ccccc1.
What is the InChIKey of 2-amino-1-hydroperoxy-1-phenylethanol?
The InChIKey is SAEYBVGVEIRFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c9-6-8(10,12-11)7-4-2-1-3-5-7/h1-5,10-11H,6,9H2.
What are the key properties of 2-amino-1-hydroperoxy-1-phenylethanol?
2-amino-1-hydroperoxy-1-phenylethanol has a molecular weight of 169.18 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-hydroperoxy-1-phenylethanol is sourced from PubChem (CID 87472003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).