3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride

C18H22ClNO — CID 14030292

IUPAC3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride
SMILESCc1cc(C)c2c(c1O)C(N)C(C)(c1ccccc1)C2.Cl
InChIInChI=1S/C18H21NO.ClH/c1-11-9-12(2)16(20)15-14(11)10-18(3,17(15)19)13-7-5-4-6-8-13;/h4-9,17,20H,10,19H2,1-3H3;1H
InChIKeySCHWWMMXHYQGAM-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.94
Rot. Bonds1

About 3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride

3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride (PubChem CID 14030292) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride
PubChem CID14030292
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride
SMILESCc1cc(C)c2c(c1O)C(N)C(C)(c1ccccc1)C2.Cl
InChIInChI=1S/C18H21NO.ClH/c1-11-9-12(2)16(20)15-14(11)10-18(3,17(15)19)13-7-5-4-6-8-13;/h4-9,17,20H,10,19H2,1-3H3;1H
InChIKeySCHWWMMXHYQGAM-UHFFFAOYSA-N
XLogP3.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.94
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-phenyl-1,3-dihydroinden-4-ol;hydrochloride 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-phenyl-1,3-dihydroinden-4-ol;hydrochloride?
The IUPAC name of 3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride (CID 14030292) is 3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride.
What is the SMILES notation for 3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride?
The canonical SMILES for 3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride is Cc1cc(C)c2c(c1O)C(N)C(C)(c1ccccc1)C2.Cl.
What is the InChIKey of 3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride?
The InChIKey is SCHWWMMXHYQGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c1-11-9-12(2)16(20)15-14(11)10-18(3,17(15)19)13-7-5-4-6-8-13;/h4-9,17,20H,10,19H2,1-3H3;1H.
What are the key properties of 3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride?
3-amino-2,5,7-trimethyl-2-phenyl-1,3-dihydroinden-4-ol;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 3.94, 1 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-phenyl-1,3-dihydroinden-4-ol;hydrochloride is sourced from PubChem (CID 14030292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).