2-amino-3-aminooxyphenol;dihydrochloride

C6H10Cl2N2O2 — CID 19876209

IUPAC2-amino-3-aminooxyphenol;dihydrochloride
SMILESCl.Cl.NOc1cccc(O)c1N
InChIInChI=1S/C6H8N2O2.2ClH/c7-6-4(9)2-1-3-5(6)10-8;;/h1-3,9H,7-8H2;2*1H
InChIKeyXJSIFKNDZMOLAN-UHFFFAOYSA-N
MW213.06 g/mol
LogP1.07
Rot. Bonds1

About 2-amino-3-aminooxyphenol;dihydrochloride

2-amino-3-aminooxyphenol;dihydrochloride (PubChem CID 19876209) has the molecular formula C6H10Cl2N2O2 and a molecular weight of 213.06 g/mol. Its IUPAC name is 2-amino-3-aminooxyphenol;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-aminooxyphenol;dihydrochloride
PubChem CID19876209
Molecular FormulaC6H10Cl2N2O2
Molecular Weight213.06 g/mol
Exact Mass212.01
IUPAC Name2-amino-3-aminooxyphenol;dihydrochloride
SMILESCl.Cl.NOc1cccc(O)c1N
InChIInChI=1S/C6H8N2O2.2ClH/c7-6-4(9)2-1-3-5(6)10-8;;/h1-3,9H,7-8H2;2*1H
InChIKeyXJSIFKNDZMOLAN-UHFFFAOYSA-N
XLogP1.07
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2,2-difluoroethoxy)phenol
CID 114764343
2,3-diaminophenol;hydrochloride
CID 18381079
2,3-diaminophenol;dihydrochloride
CID 18401751
2-amino-3-(3-hydroxypropoxy)phenol
CID 114764312
2-(2-amino-3-hydroxyphenoxy)acetamide
CID 114764309
2-amino-3-(3,3-dimethylbutoxy)phenol
CID 114764205
2-amino-3-[(4-methylphenyl)methoxy]phenol
CID 114764418
2-amino-3-[(6-methyl-2-pyridinyl)oxy]phenol
CID 114764591
2-amino-3-(4,4,4-trifluorobutoxy)phenol
CID 114764271
2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol
CID 114764274
2-amino-3-(oxan-3-yloxy)phenol
CID 107134115
2-(2-amino-3-hydroxyphenoxy)-N-propan-2-ylacetamide
CID 114764237

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-aminooxyphenol;dihydrochloride?
The IUPAC name of 2-amino-3-aminooxyphenol;dihydrochloride (CID 19876209) is 2-amino-3-aminooxyphenol;dihydrochloride.
What is the SMILES notation for 2-amino-3-aminooxyphenol;dihydrochloride?
The canonical SMILES for 2-amino-3-aminooxyphenol;dihydrochloride is Cl.Cl.NOc1cccc(O)c1N.
What is the InChIKey of 2-amino-3-aminooxyphenol;dihydrochloride?
The InChIKey is XJSIFKNDZMOLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.2ClH/c7-6-4(9)2-1-3-5(6)10-8;;/h1-3,9H,7-8H2;2*1H.
What are the key properties of 2-amino-3-aminooxyphenol;dihydrochloride?
2-amino-3-aminooxyphenol;dihydrochloride has a molecular weight of 213.06 g/mol, XLogP of 1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-aminooxyphenol;dihydrochloride is sourced from PubChem (CID 19876209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).