N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline

C24H26N2 — CID 123872639

IUPACN-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline
SMILESCN(CN1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2/c1-25(22-15-9-4-10-16-22)19-26-23(20-11-5-2-6-12-20)17-18-24(26)21-13-7-3-8-14-21/h2-16,23-24H,17-19H2,1H3/t23-,24-/m1/s1
InChIKeyVLUDANDBGHXADL-DNQXCXABSA-N
MW342.49 g/mol
LogP5.66
Rot. Bonds5

About N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline

N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline (PubChem CID 123872639) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline
PubChem CID123872639
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC NameN-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline
SMILESCN(CN1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2/c1-25(22-15-9-4-10-16-22)19-26-23(20-11-5-2-6-12-20)17-18-24(26)21-13-7-3-8-14-21/h2-16,23-24H,17-19H2,1H3/t23-,24-/m1/s1
InChIKeyVLUDANDBGHXADL-DNQXCXABSA-N
XLogP5.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine
CID 135084679
2-tert-butyl-1-ethyl-5-phenylpyrrolidine
CID 70876764
[2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 102481746
1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine
CID 89471638
methyl (2S,5R)-1-(dimethylcarbamoyl)-5-phenylpyrrolidine-2-carboxylate
CID 99859379
(2R,6S)-1-pentyl-2,6-diphenylpiperidine
CID 132552857
N,N-dimethyl-2-phenylpiperidin-1-amine
CID 150714431
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione
CID 155956821
N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline
CID 38989172
1-methyl-2-phenylazetidine
CID 576373
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
CID 57253639

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline?
The IUPAC name of N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline (CID 123872639) is N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline.
What is the SMILES notation for N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline?
The canonical SMILES for N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline is CN(CN1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline?
The InChIKey is VLUDANDBGHXADL-DNQXCXABSA-N. The full InChI is InChI=1S/C24H26N2/c1-25(22-15-9-4-10-16-22)19-26-23(20-11-5-2-6-12-20)17-18-24(26)21-13-7-3-8-14-21/h2-16,23-24H,17-19H2,1H3/t23-,24-/m1/s1.
What are the key properties of N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline?
N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline has a molecular weight of 342.49 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline is sourced from PubChem (CID 123872639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).