[(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol

C27H32N2O — CID 101393786

IUPAC[(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1C[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H32N2O/c30-22-26-17-10-18-28(26)21-27(25-15-8-3-9-16-25)29(19-23-11-4-1-5-12-23)20-24-13-6-2-7-14-24/h1-9,11-16,26-27,30H,10,17-22H2/t26-,27-/m0/s1
InChIKeyUCWUCKVOUOSWEM-SVBPBHIXSA-N
MW400.57 g/mol
LogP4.89
Rot. Bonds9

About [(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol

[(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol (PubChem CID 101393786) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is [(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol
PubChem CID101393786
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name[(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1C[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H32N2O/c30-22-26-17-10-18-28(26)21-27(25-15-8-3-9-16-25)29(19-23-11-4-1-5-12-23)20-24-13-6-2-7-14-24/h1-9,11-16,26-27,30H,10,17-22H2/t26-,27-/m0/s1
InChIKeyUCWUCKVOUOSWEM-SVBPBHIXSA-N
XLogP4.89
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylpropanenitrile
CID 64537868
[(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol
CID 11501921
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
[1-(2,2-diphenylethyl)pyrrolidin-2-yl]methanamine
CID 107292865
benzyl 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 106484533
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 55038005
1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 62264924
2-[(2R)-2-[[benzyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554342
[1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol
CID 62617928
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol (CID 101393786) is [(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1C[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol?
The InChIKey is UCWUCKVOUOSWEM-SVBPBHIXSA-N. The full InChI is InChI=1S/C27H32N2O/c30-22-26-17-10-18-28(26)21-27(25-15-8-3-9-16-25)29(19-23-11-4-1-5-12-23)20-24-13-6-2-7-14-24/h1-9,11-16,26-27,30H,10,17-22H2/t26-,27-/m0/s1.
What are the key properties of [(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol has a molecular weight of 400.57 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 101393786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).