3,6-diamino-2-(2-hydroxyethyl)phenol

C8H12N2O2 — CID 150408820

IUPAC3,6-diamino-2-(2-hydroxyethyl)phenol
SMILESNc1ccc(N)c(CCO)c1O
InChIInChI=1S/C8H12N2O2/c9-6-1-2-7(10)8(12)5(6)3-4-11/h1-2,11-12H,3-4,9-10H2
InChIKeyHFIUHNAPWCBRPR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.09
Rot. Bonds2

About 3,6-diamino-2-(2-hydroxyethyl)phenol

3,6-diamino-2-(2-hydroxyethyl)phenol (PubChem CID 150408820) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3,6-diamino-2-(2-hydroxyethyl)phenol.

Molecular Properties

Compound Name3,6-diamino-2-(2-hydroxyethyl)phenol
PubChem CID150408820
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3,6-diamino-2-(2-hydroxyethyl)phenol
SMILESNc1ccc(N)c(CCO)c1O
InChIInChI=1S/C8H12N2O2/c9-6-1-2-7(10)8(12)5(6)3-4-11/h1-2,11-12H,3-4,9-10H2
InChIKeyHFIUHNAPWCBRPR-UHFFFAOYSA-N
XLogP0.09
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-2-(2-hydroxyethyl)phenol?
The IUPAC name of 3,6-diamino-2-(2-hydroxyethyl)phenol (CID 150408820) is 3,6-diamino-2-(2-hydroxyethyl)phenol.
What is the SMILES notation for 3,6-diamino-2-(2-hydroxyethyl)phenol?
The canonical SMILES for 3,6-diamino-2-(2-hydroxyethyl)phenol is Nc1ccc(N)c(CCO)c1O.
What is the InChIKey of 3,6-diamino-2-(2-hydroxyethyl)phenol?
The InChIKey is HFIUHNAPWCBRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-6-1-2-7(10)8(12)5(6)3-4-11/h1-2,11-12H,3-4,9-10H2.
What are the key properties of 3,6-diamino-2-(2-hydroxyethyl)phenol?
3,6-diamino-2-(2-hydroxyethyl)phenol has a molecular weight of 168.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-2-(2-hydroxyethyl)phenol is sourced from PubChem (CID 150408820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).