(2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine

C18H20ClN — CID 11087372

IUPAC(2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine
SMILESC[C@]1(c2ccccc2)C[C@@H](Cl)CN1Cc1ccccc1
InChIInChI=1S/C18H20ClN/c1-18(16-10-6-3-7-11-16)12-17(19)14-20(18)13-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3/t17-,18-/m1/s1
InChIKeyYTKDRZMITUVSFW-QZTJIDSGSA-N
MW285.82 g/mol
LogP4.42
Rot. Bonds3

About (2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine

(2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine (PubChem CID 11087372) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is (2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine.

Molecular Properties

Compound Name(2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine
PubChem CID11087372
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name(2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine
SMILESC[C@]1(c2ccccc2)C[C@@H](Cl)CN1Cc1ccccc1
InChIInChI=1S/C18H20ClN/c1-18(16-10-6-3-7-11-16)12-17(19)14-20(18)13-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3/t17-,18-/m1/s1
InChIKeyYTKDRZMITUVSFW-QZTJIDSGSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-1-benzyl-4-bromo-2-methyl-2-phenylpyrrolidine
CID 10892860
2-benzyl-1-methyl-2-azabicyclo[2.1.1]hexane
CID 11389846
1-benzyl-2-methyl-2-phenylpiperazine
CID 64844450
1-benzyl-3-tert-butyl-2,2-dimethylazetidine
CID 563397
2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
CID 86809326
1-benzyl-3-bromo-2,2-dimethylpyrrolidine
CID 130979463
(1R,5S)-2-benzyl-1-methyl-2-azabicyclo[3.1.0]hexane
CID 101450566
1-benzyl-2,2-dimethylpyrrolidine-3,4-dicarboxylic acid
CID 66936378
2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
CID 117018668
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine
CID 101229912
(5S)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985399

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine?
The IUPAC name of (2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine (CID 11087372) is (2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine.
What is the SMILES notation for (2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine?
The canonical SMILES for (2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine is C[C@]1(c2ccccc2)C[C@@H](Cl)CN1Cc1ccccc1.
What is the InChIKey of (2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine?
The InChIKey is YTKDRZMITUVSFW-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H20ClN/c1-18(16-10-6-3-7-11-16)12-17(19)14-20(18)13-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3/t17-,18-/m1/s1.
What are the key properties of (2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine?
(2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine has a molecular weight of 285.82 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine is sourced from PubChem (CID 11087372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).