2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride

C20H30ClNO — CID 90677935

IUPAC2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride
SMILESCCCCN(Cc1ccccc1)C1CC2=C(CC(O)CC2)C1.Cl
InChIInChI=1S/C20H29NO.ClH/c1-2-3-11-21(15-16-7-5-4-6-8-16)19-12-17-9-10-20(22)14-18(17)13-19;/h4-8,19-20,22H,2-3,9-15H2,1H3;1H
InChIKeyMSDXOAMBJCVCOG-UHFFFAOYSA-N
MW335.92 g/mol
LogP4.71
Rot. Bonds6

About 2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride

2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride (PubChem CID 90677935) has the molecular formula C20H30ClNO and a molecular weight of 335.92 g/mol. Its IUPAC name is 2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride.

Molecular Properties

Compound Name2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride
PubChem CID90677935
Molecular FormulaC20H30ClNO
Molecular Weight335.92 g/mol
Exact Mass335.20
IUPAC Name2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride
SMILESCCCCN(Cc1ccccc1)C1CC2=C(CC(O)CC2)C1.Cl
InChIInChI=1S/C20H29NO.ClH/c1-2-3-11-21(15-16-7-5-4-6-8-16)19-12-17-9-10-20(22)14-18(17)13-19;/h4-8,19-20,22H,2-3,9-15H2,1H3;1H
InChIKeyMSDXOAMBJCVCOG-UHFFFAOYSA-N
XLogP4.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-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 2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride?
The IUPAC name of 2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride (CID 90677935) is 2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride.
What is the SMILES notation for 2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride?
The canonical SMILES for 2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride is CCCCN(Cc1ccccc1)C1CC2=C(CC(O)CC2)C1.Cl.
What is the InChIKey of 2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride?
The InChIKey is MSDXOAMBJCVCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO.ClH/c1-2-3-11-21(15-16-7-5-4-6-8-16)19-12-17-9-10-20(22)14-18(17)13-19;/h4-8,19-20,22H,2-3,9-15H2,1H3;1H.
What are the key properties of 2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride?
2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride has a molecular weight of 335.92 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(butyl)amino]-2,3,4,5,6,7-hexahydro-1H-inden-5-ol;hydrochloride is sourced from PubChem (CID 90677935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).