2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol

C15H24N2O — CID 100988546

IUPAC2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol
SMILESCN[C@@H]1[C@H](CCO)CN(Cc2ccccc2)[C@H]1C
InChIInChI=1S/C15H24N2O/c1-12-15(16-2)14(8-9-18)11-17(12)10-13-6-4-3-5-7-13/h3-7,12,14-16,18H,8-11H2,1-2H3/t12-,14+,15-/m0/s1
InChIKeyMCEAMMSYPVQPIA-CFVMTHIKSA-N
MW248.37 g/mol
LogP1.48
Rot. Bonds5

About 2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol

2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol (PubChem CID 100988546) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol
PubChem CID100988546
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol
SMILESCN[C@@H]1[C@H](CCO)CN(Cc2ccccc2)[C@H]1C
InChIInChI=1S/C15H24N2O/c1-12-15(16-2)14(8-9-18)11-17(12)10-13-6-4-3-5-7-13/h3-7,12,14-16,18H,8-11H2,1-2H3/t12-,14+,15-/m0/s1
InChIKeyMCEAMMSYPVQPIA-CFVMTHIKSA-N
XLogP1.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide
CID 70382898
(3R,4S,5S)-1-benzyl-4,5-dimethylpyrrolidin-3-ol
CID 118651472
(2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine
CID 139578462
(2R,6S)-1-benzyl-2-(2-hydroxyethyl)-1,4-diazepan-6-ol
CID 163246293
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 11469758
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
1-benzyl-N-methylazetidin-2-amine
CID 57429452
4-amino-1-benzyl-2-methylpyrrolidine-3-carbonitrile
CID 130863192
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
(2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine
CID 124709573

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol (CID 100988546) is 2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol is CN[C@@H]1[C@H](CCO)CN(Cc2ccccc2)[C@H]1C.
What is the InChIKey of 2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol?
The InChIKey is MCEAMMSYPVQPIA-CFVMTHIKSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-15(16-2)14(8-9-18)11-17(12)10-13-6-4-3-5-7-13/h3-7,12,14-16,18H,8-11H2,1-2H3/t12-,14+,15-/m0/s1.
What are the key properties of 2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol?
2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 100988546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).