3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol

C11H18N2O2 — CID 70869249

IUPAC3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol
SMILESNC(N)(CCO)c1ccccc1CCO
InChIInChI=1S/C11H18N2O2/c12-11(13,6-8-15)10-4-2-1-3-9(10)5-7-14/h1-4,14-15H,5-8,12-13H2
InChIKeyCRTCTTKCANRKHW-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.33
Rot. Bonds5

About 3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol

3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol (PubChem CID 70869249) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol
PubChem CID70869249
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol
SMILESNC(N)(CCO)c1ccccc1CCO
InChIInChI=1S/C11H18N2O2/c12-11(13,6-8-15)10-4-2-1-3-9(10)5-7-14/h1-4,14-15H,5-8,12-13H2
InChIKeyCRTCTTKCANRKHW-UHFFFAOYSA-N
XLogP-0.33
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol?
The IUPAC name of 3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol (CID 70869249) is 3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol?
The canonical SMILES for 3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol is NC(N)(CCO)c1ccccc1CCO.
What is the InChIKey of 3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol?
The InChIKey is CRTCTTKCANRKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-11(13,6-8-15)10-4-2-1-3-9(10)5-7-14/h1-4,14-15H,5-8,12-13H2.
What are the key properties of 3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol?
3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of -0.33, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diamino-3-[2-(2-hydroxyethyl)phenyl]propan-1-ol is sourced from PubChem (CID 70869249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).