1-(2,5-diaminophenoxy)ethane-1,2-diol

C8H12N2O3 — CID 144827067

IUPAC1-(2,5-diaminophenoxy)ethane-1,2-diol
SMILESNc1ccc(N)c(OC(O)CO)c1
InChIInChI=1S/C8H12N2O3/c9-5-1-2-6(10)7(3-5)13-8(12)4-11/h1-3,8,11-12H,4,9-10H2
InChIKeyUDIORXXYWBUABB-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.46
Rot. Bonds3

About 1-(2,5-diaminophenoxy)ethane-1,2-diol

1-(2,5-diaminophenoxy)ethane-1,2-diol (PubChem CID 144827067) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-(2,5-diaminophenoxy)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2,5-diaminophenoxy)ethane-1,2-diol
PubChem CID144827067
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name1-(2,5-diaminophenoxy)ethane-1,2-diol
SMILESNc1ccc(N)c(OC(O)CO)c1
InChIInChI=1S/C8H12N2O3/c9-5-1-2-6(10)7(3-5)13-8(12)4-11/h1-3,8,11-12H,4,9-10H2
InChIKeyUDIORXXYWBUABB-UHFFFAOYSA-N
XLogP-0.46
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-fluorophenoxy)propane-1,3-diol
CID 117095564
4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol
CID 89102627
2-[3-(2,5-diaminophenoxy)-2-methylpropoxy]benzene-1,4-diamine
CID 70541504
3-(4-amino-2-methoxyphenyl)sulfanylpropane-1,2-diol
CID 82849724
2,3-bis(2,4-diaminophenoxy)propan-1-ol;tetrahydrochloride
CID 20510277
3-(5-amino-2-bromophenoxy)propane-1,2-diol
CID 103008699
2-dimethylphosphanyloxybenzene-1,4-diamine
CID 167302927
3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415
2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine
CID 10132592
bis(1-(2,4-diaminophenoxy)ethanol);trihydrochloride
CID 68566061
1-(3,4-diaminophenyl)ethane-1,2-diol
CID 91166316
1-(2,5-diaminophenyl)propane-1,2-diol
CID 142719749

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diaminophenoxy)ethane-1,2-diol?
The IUPAC name of 1-(2,5-diaminophenoxy)ethane-1,2-diol (CID 144827067) is 1-(2,5-diaminophenoxy)ethane-1,2-diol.
What is the SMILES notation for 1-(2,5-diaminophenoxy)ethane-1,2-diol?
The canonical SMILES for 1-(2,5-diaminophenoxy)ethane-1,2-diol is Nc1ccc(N)c(OC(O)CO)c1.
What is the InChIKey of 1-(2,5-diaminophenoxy)ethane-1,2-diol?
The InChIKey is UDIORXXYWBUABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c9-5-1-2-6(10)7(3-5)13-8(12)4-11/h1-3,8,11-12H,4,9-10H2.
What are the key properties of 1-(2,5-diaminophenoxy)ethane-1,2-diol?
1-(2,5-diaminophenoxy)ethane-1,2-diol has a molecular weight of 184.20 g/mol, XLogP of -0.46, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diaminophenoxy)ethane-1,2-diol is sourced from PubChem (CID 144827067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).