(2R,5S)-1,2-dibenzyl-5-methylpyrrolidine

C19H23N — CID 101143886

IUPAC(2R,5S)-1,2-dibenzyl-5-methylpyrrolidine
SMILESC[C@H]1CC[C@H](Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C19H23N/c1-16-12-13-19(14-17-8-4-2-5-9-17)20(16)15-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3/t16-,19+/m0/s1
InChIKeyKMTBKDIRPPLQKY-QFBILLFUSA-N
MW265.40 g/mol
LogP4.28
Rot. Bonds4

About (2R,5S)-1,2-dibenzyl-5-methylpyrrolidine

(2R,5S)-1,2-dibenzyl-5-methylpyrrolidine (PubChem CID 101143886) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (2R,5S)-1,2-dibenzyl-5-methylpyrrolidine.

Molecular Properties

Compound Name(2R,5S)-1,2-dibenzyl-5-methylpyrrolidine
PubChem CID101143886
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(2R,5S)-1,2-dibenzyl-5-methylpyrrolidine
SMILESC[C@H]1CC[C@H](Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C19H23N/c1-16-12-13-19(14-17-8-4-2-5-9-17)20(16)15-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3/t16-,19+/m0/s1
InChIKeyKMTBKDIRPPLQKY-QFBILLFUSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[(2S,5S)-1-benzyl-5-methylpyrrolidin-2-yl]methyl]-2-methylindole
CID 92981292
2-(1-benzyl-5-methylpyrrolidin-2-yl)pyridine
CID 51039568
2-[(2S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]ethanamine
CID 83488247
1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine
CID 83220677
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 83227678
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850
(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
CID 135137500
(2R)-2-benzyl-1-methylaziridine
CID 87174257
1,4-dibenzyl-2-(fluoromethyl)-6-methylpiperazine;ethane
CID 142374999
1-benzyl-2,5-dimethylpiperidine
CID 73200484
(2S,6S)-1-benzyl-2,6-dimethyl-4-phenylpiperidine
CID 10039279
tert-butyl (2R)-2-benzyl-5-methylpyrrolidine-1-carboxylate
CID 143159528

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1,2-dibenzyl-5-methylpyrrolidine?
The IUPAC name of (2R,5S)-1,2-dibenzyl-5-methylpyrrolidine (CID 101143886) is (2R,5S)-1,2-dibenzyl-5-methylpyrrolidine.
What is the SMILES notation for (2R,5S)-1,2-dibenzyl-5-methylpyrrolidine?
The canonical SMILES for (2R,5S)-1,2-dibenzyl-5-methylpyrrolidine is C[C@H]1CC[C@H](Cc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (2R,5S)-1,2-dibenzyl-5-methylpyrrolidine?
The InChIKey is KMTBKDIRPPLQKY-QFBILLFUSA-N. The full InChI is InChI=1S/C19H23N/c1-16-12-13-19(14-17-8-4-2-5-9-17)20(16)15-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3/t16-,19+/m0/s1.
What are the key properties of (2R,5S)-1,2-dibenzyl-5-methylpyrrolidine?
(2R,5S)-1,2-dibenzyl-5-methylpyrrolidine has a molecular weight of 265.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1,2-dibenzyl-5-methylpyrrolidine is sourced from PubChem (CID 101143886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).