(1R)-2-(dihydroxyamino)oxy-1-phenylethanamine

C8H12N2O3 — CID 91150002

IUPAC(1R)-2-(dihydroxyamino)oxy-1-phenylethanamine
SMILESN[C@@H](CON(O)O)c1ccccc1
InChIInChI=1S/C8H12N2O3/c9-8(6-13-10(11)12)7-4-2-1-3-5-7/h1-5,8,11-12H,6,9H2/t8-/m0/s1
InChIKeyOTHOEZOOJSRQNW-QMMMGPOBSA-N
MW184.20 g/mol
LogP0.70
Rot. Bonds4

About (1R)-2-(dihydroxyamino)oxy-1-phenylethanamine

(1R)-2-(dihydroxyamino)oxy-1-phenylethanamine (PubChem CID 91150002) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is (1R)-2-(dihydroxyamino)oxy-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-2-(dihydroxyamino)oxy-1-phenylethanamine
PubChem CID91150002
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name(1R)-2-(dihydroxyamino)oxy-1-phenylethanamine
SMILESN[C@@H](CON(O)O)c1ccccc1
InChIInChI=1S/C8H12N2O3/c9-8(6-13-10(11)12)7-4-2-1-3-5-7/h1-5,8,11-12H,6,9H2/t8-/m0/s1
InChIKeyOTHOEZOOJSRQNW-QMMMGPOBSA-N
XLogP0.70
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-methoxy-1-phenylethanamine
CID 11019045
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
(1S)-2-(difluoromethoxy)-1-phenylethanamine
CID 118168971
(1S)-1-phenyl-2-prop-2-ynoxyethanamine
CID 146597037
zinc;tris((2S)-2-amino-2-phenylethanol);dichloride
CID 175904832
(2S)-2-amino-2-phenylethanol;methanol
CID 160824062
[(2S)-2-amino-2-phenylethyl] 2-aminobenzoate
CID 11747228
[(2R)-2-amino-2-phenylethyl] N-propan-2-ylcarbamate
CID 58681193
(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
2-pentoxy-1-phenylethanamine
CID 43275081
2-(4-bromophenoxy)-1-phenylethanamine
CID 63771219

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(dihydroxyamino)oxy-1-phenylethanamine?
The IUPAC name of (1R)-2-(dihydroxyamino)oxy-1-phenylethanamine (CID 91150002) is (1R)-2-(dihydroxyamino)oxy-1-phenylethanamine.
What is the SMILES notation for (1R)-2-(dihydroxyamino)oxy-1-phenylethanamine?
The canonical SMILES for (1R)-2-(dihydroxyamino)oxy-1-phenylethanamine is N[C@@H](CON(O)O)c1ccccc1.
What is the InChIKey of (1R)-2-(dihydroxyamino)oxy-1-phenylethanamine?
The InChIKey is OTHOEZOOJSRQNW-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12N2O3/c9-8(6-13-10(11)12)7-4-2-1-3-5-7/h1-5,8,11-12H,6,9H2/t8-/m0/s1.
What are the key properties of (1R)-2-(dihydroxyamino)oxy-1-phenylethanamine?
(1R)-2-(dihydroxyamino)oxy-1-phenylethanamine has a molecular weight of 184.20 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(dihydroxyamino)oxy-1-phenylethanamine is sourced from PubChem (CID 91150002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).