1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol

C21H27NO — CID 54569123

IUPAC1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol
SMILESCN(C)CCCC1(O)c2ccccc2CC1(C)c1ccccc1
InChIInChI=1S/C21H27NO/c1-20(18-11-5-4-6-12-18)16-17-10-7-8-13-19(17)21(20,23)14-9-15-22(2)3/h4-8,10-13,23H,9,14-16H2,1-3H3
InChIKeyZVZHMMFRKNJLTD-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.73
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol

1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol (PubChem CID 54569123) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol
PubChem CID54569123
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol
SMILESCN(C)CCCC1(O)c2ccccc2CC1(C)c1ccccc1
InChIInChI=1S/C21H27NO/c1-20(18-11-5-4-6-12-18)16-17-10-7-8-13-19(17)21(20,23)14-9-15-22(2)3/h4-8,10-13,23H,9,14-16H2,1-3H3
InChIKeyZVZHMMFRKNJLTD-UHFFFAOYSA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol?
The IUPAC name of 1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol (CID 54569123) is 1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol is CN(C)CCCC1(O)c2ccccc2CC1(C)c1ccccc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol?
The InChIKey is ZVZHMMFRKNJLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-20(18-11-5-4-6-12-18)16-17-10-7-8-13-19(17)21(20,23)14-9-15-22(2)3/h4-8,10-13,23H,9,14-16H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol?
1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol has a molecular weight of 309.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-2-methyl-2-phenyl-3H-inden-1-ol is sourced from PubChem (CID 54569123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).