[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol

C20H33N3O — CID 70732132

IUPAC[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol
SMILESCN(C)CCN(C)C[C@@H]1CN(C2Cc3ccccc3C2)C[C@@H]1CO
InChIInChI=1S/C20H33N3O/c1-21(2)8-9-22(3)12-18-13-23(14-19(18)15-24)20-10-16-6-4-5-7-17(16)11-20/h4-7,18-20,24H,8-15H2,1-3H3/t18-,19-/m1/s1
InChIKeyOFHYENMUGJYDSP-RTBURBONSA-N
MW331.50 g/mol
LogP1.19
Rot. Bonds7

About [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol

[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol (PubChem CID 70732132) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol
PubChem CID70732132
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol
SMILESCN(C)CCN(C)C[C@@H]1CN(C2Cc3ccccc3C2)C[C@@H]1CO
InChIInChI=1S/C20H33N3O/c1-21(2)8-9-22(3)12-18-13-23(14-19(18)15-24)20-10-16-6-4-5-7-17(16)11-20/h4-7,18-20,24H,8-15H2,1-3H3/t18-,19-/m1/s1
InChIKeyOFHYENMUGJYDSP-RTBURBONSA-N
XLogP1.19
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{(3R*,4R*)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl}methanol
CID 72853643
1-{[(3R*,4R*)-1-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}piperidin-4-ol
CID 72856059
((3R*,4R*)-1-(2,3-dihydro-1H-inden-2-yl)-4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}pyrrolidin-3-yl)methanol
CID 72860766
(1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl)methanol
CID 92130772
rac-(3S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-(dimethylamino)pyrrolidin-3-ol
CID 124214315
[(2R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-yl]methanol
CID 124892219
Sdccgsbi-0116917.P001
CID 45244617
(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol
CID 129504492
(3S*,4S*)-1-(2,3-dihydro-1H-inden-2-yl)-4-(4-morpholinyl)-3-pyrrolidinol
CID 30733488
3-[2-Methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-ol
CID 56794041
2-[(2S)-1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]pyrrolidin-2-yl]ethanol
CID 53878513
(2S)-(2-hydroxyethyl)-1-[2-(indan-5-yl)ethyl]pyrrolidine
CID 53921776

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol (CID 70732132) is [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol is CN(C)CCN(C)C[C@@H]1CN(C2Cc3ccccc3C2)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is OFHYENMUGJYDSP-RTBURBONSA-N. The full InChI is InChI=1S/C20H33N3O/c1-21(2)8-9-22(3)12-18-13-23(14-19(18)15-24)20-10-16-6-4-5-7-17(16)11-20/h4-7,18-20,24H,8-15H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 331.50 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(dimethylamino)ethyl-methylamino]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70732132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).