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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Related Compounds

5-[3-(dimethylamino)propyl]-6,6-dimethyl-8,9-dihydro-7H-benzo[7]annulen-5-ol
CID 24834898
N,N-dimethyl-3-(4-phenyl-2,3-dihydro-1H-isoquinolin-4-yl)propan-1-amine
CID 19028936
(1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine
CID 67388625
10-[3-(dimethylamino)propyl]-9H-anthracene-9,10-diol
CID 24977688
(5S,6R)-5-[3-(dimethylamino)propyl]-6-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol;oxalic acid
CID 44511682
1-[3-(dimethylamino)propyl]-6-fluoro-7-methoxy-2,2-dimethyl-3H-inden-1-ol
CID 58950935
N,N-dimethyl-3-(4-phenyl-1H-quinazolin-4-yl)propan-1-amine
CID 165353593
3-[1-(3-fluorophenyl)-3,4-dihydroisochromen-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride
CID 132777437
(5R,6S)-5-[3-(dimethylamino)propyl]-6-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 66934090
(11R)-11-[3-(dimethylamino)propyl]-3-methoxy-6H-benzo[c][1]benzothiepin-11-ol
CID 95988894
11-[3-(dimethylamino)propyl]-6H-benzo[c][1]benzoxepine-11-carbonitrile
CID 12962160
2-[11-[3-(dimethylamino)propyl]-11-hydroxy-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
CID 25022781

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).