ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol

C11H19NO3 — CID 143733652

IUPACethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
SMILESCC.CNCC(O)c1cc(O)cc(O)c1
InChIInChI=1S/C9H13NO3.C2H6/c1-10-5-9(13)6-2-7(11)4-8(12)3-6;1-2/h2-4,9-13H,5H2,1H3;1-2H3
InChIKeyUZZOTYUAEFEDEY-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.38
Rot. Bonds3

About ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol

ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol (PubChem CID 143733652) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Nameethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
PubChem CID143733652
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
SMILESCC.CNCC(O)c1cc(O)cc(O)c1
InChIInChI=1S/C9H13NO3.C2H6/c1-10-5-9(13)6-2-7(11)4-8(12)3-6;1-2/h2-4,9-13H,5H2,1H3;1-2H3
InChIKeyUZZOTYUAEFEDEY-UHFFFAOYSA-N
XLogP1.38
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71478438
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroiodide
CID 71478439
5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol
CID 110176309
5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol
CID 14369545
sodium;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;chloride
CID 174756001
[(2S)-2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-propan-2-ylazanium
CID 25271692
(Z)-but-2-enedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 68717826
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
CID 117301901
5-(2-amino-1-hydroxyethyl)benzene-1,3-diol
CID 12534519
1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol
CID 171857583

Frequently Asked Questions

What is the IUPAC name of ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol?
The IUPAC name of ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol (CID 143733652) is ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol is CC.CNCC(O)c1cc(O)cc(O)c1.
What is the InChIKey of ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol?
The InChIKey is UZZOTYUAEFEDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3.C2H6/c1-10-5-9(13)6-2-7(11)4-8(12)3-6;1-2/h2-4,9-13H,5H2,1H3;1-2H3.
What are the key properties of ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol?
ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol has a molecular weight of 213.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 143733652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).