4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol

C11H18N2O2 — CID 90677983

IUPAC4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol
SMILESCC(C)NCCc1cc(O)c(O)cc1N
InChIInChI=1S/C11H18N2O2/c1-7(2)13-4-3-8-5-10(14)11(15)6-9(8)12/h5-7,13-15H,3-4,12H2,1-2H3
InChIKeyUIZSZOHBBVYCQP-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.22
Rot. Bonds4

About 4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol

4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol (PubChem CID 90677983) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol
PubChem CID90677983
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol
SMILESCC(C)NCCc1cc(O)c(O)cc1N
InChIInChI=1S/C11H18N2O2/c1-7(2)13-4-3-8-5-10(14)11(15)6-9(8)12/h5-7,13-15H,3-4,12H2,1-2H3
InChIKeyUIZSZOHBBVYCQP-UHFFFAOYSA-N
XLogP1.22
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol?
The IUPAC name of 4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol (CID 90677983) is 4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol.
What is the SMILES notation for 4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol?
The canonical SMILES for 4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol is CC(C)NCCc1cc(O)c(O)cc1N.
What is the InChIKey of 4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol?
The InChIKey is UIZSZOHBBVYCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)13-4-3-8-5-10(14)11(15)6-9(8)12/h5-7,13-15H,3-4,12H2,1-2H3.
What are the key properties of 4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol?
4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol has a molecular weight of 210.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol is sourced from PubChem (CID 90677983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).