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

C26H30N2O — CID 11501921

IUPAC[(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1C[C@H](NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O/c29-20-24-17-10-18-28(24)19-25(21-11-4-1-5-12-21)27-26(22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24-27,29H,10,17-20H2/t24-,25-/m0/s1
InChIKeyNPLGBOGULWUOJS-DQEYMECFSA-N
MW386.54 g/mol
LogP4.56
Rot. Bonds8

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

[(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol (PubChem CID 11501921) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is [(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol
PubChem CID11501921
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name[(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1C[C@H](NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O/c29-20-24-17-10-18-28(24)19-25(21-11-4-1-5-12-21)27-26(22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24-27,29H,10,17-20H2/t24-,25-/m0/s1
InChIKeyNPLGBOGULWUOJS-DQEYMECFSA-N
XLogP4.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethyl]-4-methylbenzenesulfonamide
CID 11360845
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylpropanenitrile
CID 64537868
[(2S)-1-[(2R)-2-(dibenzylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol
CID 101393786
[1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol
CID 62617928
methyl 3-[2-(hydroxymethyl)azepan-1-yl]-2-phenylpropanoate
CID 116635216
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 62264924
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
[1-(2,2-diphenylethyl)pyrrolidin-2-yl]methanamine
CID 107292865
benzyl 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 106484533
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-phenylprop-2-enylamino)propan-1-ol
CID 77439017
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol (CID 11501921) is [(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1C[C@H](NC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol?
The InChIKey is NPLGBOGULWUOJS-DQEYMECFSA-N. The full InChI is InChI=1S/C26H30N2O/c29-20-24-17-10-18-28(24)19-25(21-11-4-1-5-12-21)27-26(22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24-27,29H,10,17-20H2/t24-,25-/m0/s1.
What are the key properties of [(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol has a molecular weight of 386.54 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2R)-2-(benzhydrylamino)-2-phenylethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 11501921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).