5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol

C17H21NO4 — CID 14369545

IUPAC5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol
SMILESCC(CNCC(O)c1cc(O)cc(O)c1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO4/c1-11(12-2-4-14(19)5-3-12)9-18-10-17(22)13-6-15(20)8-16(21)7-13/h2-8,11,17-22H,9-10H2,1H3
InChIKeyFQAPQZLFVXSPSO-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.23
Rot. Bonds6

About 5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol

5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol (PubChem CID 14369545) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol
PubChem CID14369545
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol
SMILESCC(CNCC(O)c1cc(O)cc(O)c1)c1ccc(O)cc1
InChIInChI=1S/C17H21NO4/c1-11(12-2-4-14(19)5-3-12)9-18-10-17(22)13-6-15(20)8-16(21)7-13/h2-8,11,17-22H,9-10H2,1H3
InChIKeyFQAPQZLFVXSPSO-UHFFFAOYSA-N
XLogP2.23
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 71368839
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
CID 67859728
1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577747
1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115589638
ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
CID 143733652
5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol
CID 110176309
5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol;5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
CID 90002784
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
5-[1-hydroxy-2-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino]ethyl]benzene-1,3-diol;hydrobromide
CID 3084673

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol (CID 14369545) is 5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol is CC(CNCC(O)c1cc(O)cc(O)c1)c1ccc(O)cc1.
What is the InChIKey of 5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol?
The InChIKey is FQAPQZLFVXSPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11(12-2-4-14(19)5-3-12)9-18-10-17(22)13-6-15(20)8-16(21)7-13/h2-8,11,17-22H,9-10H2,1H3.
What are the key properties of 5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol?
5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol has a molecular weight of 303.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 14369545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).