5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol

C14H16N2O3 — CID 18371667

IUPAC5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol
SMILESNc1ccc(NCCO)c(-c2cc(O)cc(O)c2)c1
InChIInChI=1S/C14H16N2O3/c15-10-1-2-14(16-3-4-17)13(7-10)9-5-11(18)8-12(19)6-9/h1-2,5-8,16-19H,3-4,15H2
InChIKeyFSKFRCHUKHFHQM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.75
Rot. Bonds4

About 5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol

5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol (PubChem CID 18371667) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol
PubChem CID18371667
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol
SMILESNc1ccc(NCCO)c(-c2cc(O)cc(O)c2)c1
InChIInChI=1S/C14H16N2O3/c15-10-1-2-14(16-3-4-17)13(7-10)9-5-11(18)8-12(19)6-9/h1-2,5-8,16-19H,3-4,15H2
InChIKeyFSKFRCHUKHFHQM-UHFFFAOYSA-N
XLogP1.75
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(R,S)-(-)-5-[1-hydroxy-2-(1-methyl-2-phenylethylamino)ethyl]-1,3-benzenediol
CID 16735263
(R,R)-(-)-5-[1-hydroxy-2-(1-methyl-2-phenylethylamino)ethyl]-1,3-benzenediol
CID 16736094
5-[(1R)-2-[[(2R)-1-(3-aminophenyl)propan-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
CID 123133224
5-[(1R)-2-[[(2S)-1-(3-aminophenyl)propan-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
CID 123133225
(S,S)-(+)-5-[1-hydroxy-2-(1-methyl-2-phenylethylamino)ethyl]-1,3-benzenediol
CID 16735492
(S,R)-(+)-5-[1-hydroxy-2-(1-methyl-2-phenylethylamino)ethyl]-1,3-benzenediol
CID 16735493
5-[(1R,2R,3R)-5-anilino-1,3-dihydroxy-2-(2-methylpropyl)pentyl]benzene-1,3-diol
CID 177371495
5-[(1R,2R,3R)-1,3-dihydroxy-2-(2-methylpropyl)-5-[3-(trifluoromethyl)anilino]pentyl]benzene-1,3-diol
CID 177371503
5-[(1R,2R,3R)-1,3-dihydroxy-5-(2-hydroxyanilino)-2-(2-methylpropyl)pentyl]benzene-1,3-diol
CID 177638399
5-[(1R,2R,3R)-1,3-dihydroxy-5-(4-hydroxyanilino)-2-(2-methylpropyl)pentyl]benzene-1,3-diol
CID 177639696
5-[(1S)-2-[[(2R)-1-(3-aminophenyl)propan-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
CID 123133226
5-[(1S)-2-[[(2S)-1-(3-aminophenyl)propan-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
CID 123133227

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol?
The IUPAC name of 5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol (CID 18371667) is 5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol?
The canonical SMILES for 5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol is Nc1ccc(NCCO)c(-c2cc(O)cc(O)c2)c1.
What is the InChIKey of 5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol?
The InChIKey is FSKFRCHUKHFHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-10-1-2-14(16-3-4-17)13(7-10)9-5-11(18)8-12(19)6-9/h1-2,5-8,16-19H,3-4,15H2.
What are the key properties of 5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol?
5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol has a molecular weight of 260.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-2-(2-hydroxyethylamino)phenyl]benzene-1,3-diol is sourced from PubChem (CID 18371667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).