5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol

C16H19NO3 — CID 107706519

IUPAC5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
SMILESCC(NC(CO)c1ccccc1)c1cc(O)cc(O)c1
InChIInChI=1S/C16H19NO3/c1-11(13-7-14(19)9-15(20)8-13)17-16(10-18)12-5-3-2-4-6-12/h2-9,11,16-20H,10H2,1H3
InChIKeyUDHDQSDLXIMGGG-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.48
Rot. Bonds5

About 5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol

5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol (PubChem CID 107706519) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
PubChem CID107706519
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
SMILESCC(NC(CO)c1ccccc1)c1cc(O)cc(O)c1
InChIInChI=1S/C16H19NO3/c1-11(13-7-14(19)9-15(20)8-13)17-16(10-18)12-5-3-2-4-6-12/h2-9,11,16-20H,10H2,1H3
InChIKeyUDHDQSDLXIMGGG-UHFFFAOYSA-N
XLogP2.48
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
(2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol
CID 103784026
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
CID 111521938
(2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol
CID 103784132
(2R)-2-phenyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]ethanol
CID 103788833
(2S)-2-[1-(4-nitrophenyl)ethylamino]-2-phenylethanol
CID 103784100
2-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]ethyl]-5-methylphenol
CID 104582502
(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788710
(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788667

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol (CID 107706519) is 5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol is CC(NC(CO)c1ccccc1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol?
The InChIKey is UDHDQSDLXIMGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(13-7-14(19)9-15(20)8-13)17-16(10-18)12-5-3-2-4-6-12/h2-9,11,16-20H,10H2,1H3.
What are the key properties of 5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol?
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol has a molecular weight of 273.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).