1-(2,3-diaminophenyl)ethanol

C8H12N2O — CID 18668016

IUPAC1-(2,3-diaminophenyl)ethanol
SMILESCC(O)c1cccc(N)c1N
InChIInChI=1S/C8H12N2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,9-10H2,1H3
InChIKeyNYWFRRXETZKDJM-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.90
Rot. Bonds1

About 1-(2,3-diaminophenyl)ethanol

1-(2,3-diaminophenyl)ethanol (PubChem CID 18668016) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(2,3-diaminophenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-diaminophenyl)ethanol
PubChem CID18668016
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(2,3-diaminophenyl)ethanol
SMILESCC(O)c1cccc(N)c1N
InChIInChI=1S/C8H12N2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,9-10H2,1H3
InChIKeyNYWFRRXETZKDJM-UHFFFAOYSA-N
XLogP0.90
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(1-hydroxyethyl)phenol
CID 21298381
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
(1S,2S)-1-amino-1-(2,3-diaminophenyl)propan-2-ol
CID 55294728
1-(2,3-diaminophenyl)ethanethiol
CID 141372942
2-(2,3-diaminophenyl)propanenitrile
CID 23459353
1-(2-aminophenyl)-2-methylpropan-1-ol
CID 64834180
(2S,3S)-3-(2-aminophenyl)butan-2-ol
CID 131028904
(1S,2S)-1-(2-aminophenyl)propane-1,2-diol
CID 54485712
(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
CID 166060261
1-(4-aminoisoquinolin-5-yl)ethanol
CID 118547446
S-[3-(2,3-diaminophenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821597
(1S,2S)-1-amino-1-(3-amino-2-fluorophenyl)propan-2-ol
CID 131123791

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diaminophenyl)ethanol?
The IUPAC name of 1-(2,3-diaminophenyl)ethanol (CID 18668016) is 1-(2,3-diaminophenyl)ethanol.
What is the SMILES notation for 1-(2,3-diaminophenyl)ethanol?
The canonical SMILES for 1-(2,3-diaminophenyl)ethanol is CC(O)c1cccc(N)c1N.
What is the InChIKey of 1-(2,3-diaminophenyl)ethanol?
The InChIKey is NYWFRRXETZKDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,9-10H2,1H3.
What are the key properties of 1-(2,3-diaminophenyl)ethanol?
1-(2,3-diaminophenyl)ethanol has a molecular weight of 152.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diaminophenyl)ethanol is sourced from PubChem (CID 18668016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).