ethane;3-[hydroxy(methyl)amino]phenol

C9H15NO2 — CID 22759577

IUPACethane;3-[hydroxy(methyl)amino]phenol
SMILESCC.CN(O)c1cccc(O)c1
InChIInChI=1S/C7H9NO2.C2H6/c1-8(10)6-3-2-4-7(9)5-6;1-2/h2-5,9-10H,1H3;1-2H3
InChIKeyADMXMDJOMJAEGJ-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.24
Rot. Bonds1

About ethane;3-[hydroxy(methyl)amino]phenol

ethane;3-[hydroxy(methyl)amino]phenol (PubChem CID 22759577) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethane;3-[hydroxy(methyl)amino]phenol.

Molecular Properties

Compound Nameethane;3-[hydroxy(methyl)amino]phenol
PubChem CID22759577
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethane;3-[hydroxy(methyl)amino]phenol
SMILESCC.CN(O)c1cccc(O)c1
InChIInChI=1S/C7H9NO2.C2H6/c1-8(10)6-3-2-4-7(9)5-6;1-2/h2-5,9-10H,1H3;1-2H3
InChIKeyADMXMDJOMJAEGJ-UHFFFAOYSA-N
XLogP2.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)phenol;ethane
CID 174543999
3-(dimethylamino)phenol;methoxymethane
CID 175600948
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
ethane;3-(N-(4-methylphenyl)anilino)phenol
CID 144899078
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
2-amino-N-(3-hydroxyphenyl)-N,2-dimethylpropanamide
CID 107734712
(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692
N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide
CID 107735719
3-[methyl-(2-methylcyclohexyl)amino]phenol
CID 139614787
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;tris(yttrium)
CID 23386139

Frequently Asked Questions

What is the IUPAC name of ethane;3-[hydroxy(methyl)amino]phenol?
The IUPAC name of ethane;3-[hydroxy(methyl)amino]phenol (CID 22759577) is ethane;3-[hydroxy(methyl)amino]phenol.
What is the SMILES notation for ethane;3-[hydroxy(methyl)amino]phenol?
The canonical SMILES for ethane;3-[hydroxy(methyl)amino]phenol is CC.CN(O)c1cccc(O)c1.
What is the InChIKey of ethane;3-[hydroxy(methyl)amino]phenol?
The InChIKey is ADMXMDJOMJAEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C2H6/c1-8(10)6-3-2-4-7(9)5-6;1-2/h2-5,9-10H,1H3;1-2H3.
What are the key properties of ethane;3-[hydroxy(methyl)amino]phenol?
ethane;3-[hydroxy(methyl)amino]phenol has a molecular weight of 169.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[hydroxy(methyl)amino]phenol is sourced from PubChem (CID 22759577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).