2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol

C22H30N2O2 — CID 70763083

IUPAC2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol
SMILESCN(CCO)C[C@@H]1CN(Cc2ccccc2-c2ccccc2)C[C@@H]1CO
InChIInChI=1S/C22H30N2O2/c1-23(11-12-25)13-20-15-24(16-21(20)17-26)14-19-9-5-6-10-22(19)18-7-3-2-4-8-18/h2-10,20-21,25-26H,11-17H2,1H3/t20-,21-/m1/s1
InChIKeyVDSYORDZBYVPSI-NHCUHLMSSA-N
MW354.49 g/mol
LogP2.32
Rot. Bonds8

About 2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol

2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol (PubChem CID 70763083) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol
PubChem CID70763083
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol
SMILESCN(CCO)C[C@@H]1CN(Cc2ccccc2-c2ccccc2)C[C@@H]1CO
InChIInChI=1S/C22H30N2O2/c1-23(11-12-25)13-20-15-24(16-21(20)17-26)14-19-9-5-6-10-22(19)18-7-3-2-4-8-18/h2-10,20-21,25-26H,11-17H2,1H3/t20-,21-/m1/s1
InChIKeyVDSYORDZBYVPSI-NHCUHLMSSA-N
XLogP2.32
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol (CID 70763083) is 2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol is CN(CCO)C[C@@H]1CN(Cc2ccccc2-c2ccccc2)C[C@@H]1CO.
What is the InChIKey of 2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol?
The InChIKey is VDSYORDZBYVPSI-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-23(11-12-25)13-20-15-24(16-21(20)17-26)14-19-9-5-6-10-22(19)18-7-3-2-4-8-18/h2-10,20-21,25-26H,11-17H2,1H3/t20-,21-/m1/s1.
What are the key properties of 2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol?
2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol has a molecular weight of 354.49 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 70763083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).