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

C15H17NO4 — CID 71368839

IUPAC5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol
SMILESOc1ccc(CNCC(O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C15H17NO4/c17-12-3-1-10(2-4-12)8-16-9-15(20)11-5-13(18)7-14(19)6-11/h1-7,15-20H,8-9H2
InChIKeyANJCMDSICTXEKO-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.63
Rot. Bonds5

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

5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol (PubChem CID 71368839) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol
PubChem CID71368839
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol
SMILESOc1ccc(CNCC(O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C15H17NO4/c17-12-3-1-10(2-4-12)8-16-9-15(20)11-5-13(18)7-14(19)6-11/h1-7,15-20H,8-9H2
InChIKeyANJCMDSICTXEKO-UHFFFAOYSA-N
XLogP1.63
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol
CID 114331841
5-[1-hydroxy-2-[2-(4-hydroxyphenyl)propylamino]ethyl]benzene-1,3-diol
CID 14369545
4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol
CID 11630418
5-[1-hydroxy-2-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino]ethyl]benzene-1,3-diol;hydrobromide
CID 3084673
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-[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
2-[(4-iodophenyl)methylamino]-1-phenylethanol
CID 65479403
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
CID 67929030
3-[2-[(3,4-dimethoxyphenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride
CID 138402625
4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride
CID 139702369

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol (CID 71368839) is 5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol is Oc1ccc(CNCC(O)c2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol?
The InChIKey is ANJCMDSICTXEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-12-3-1-10(2-4-12)8-16-9-15(20)11-5-13(18)7-14(19)6-11/h1-7,15-20H,8-9H2.
What are the key properties of 5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol?
5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol has a molecular weight of 275.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 71368839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).