3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol

C12H17NO — CID 14873457

IUPAC3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(C)c2c(c1O)C(N)C(C)C2
InChIInChI=1S/C12H17NO/c1-6-4-8(3)12(14)10-9(6)5-7(2)11(10)13/h4,7,11,14H,5,13H2,1-3H3
InChIKeyJWHKTIRBJBNOKI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.20
Rot. Bonds

About 3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol

3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 14873457) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID14873457
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1cc(C)c2c(c1O)C(N)C(C)C2
InChIInChI=1S/C12H17NO/c1-6-4-8(3)12(14)10-9(6)5-7(2)11(10)13/h4,7,11,14H,5,13H2,1-3H3
InChIKeyJWHKTIRBJBNOKI-UHFFFAOYSA-N
XLogP2.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol 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 3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol (CID 14873457) is 3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol is Cc1cc(C)c2c(c1O)C(N)C(C)C2.
What is the InChIKey of 3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is JWHKTIRBJBNOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-6-4-8(3)12(14)10-9(6)5-7(2)11(10)13/h4,7,11,14H,5,13H2,1-3H3.
What are the key properties of 3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol?
3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 191.27 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5,7-trimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 14873457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).