(3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine

C21H26N2 — CID 67175624

IUPAC(3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine
SMILESc1ccc([C@@H]2CN[C@H](CN3CC[C@H](c4ccccc4)C3)C2)cc1
InChIInChI=1S/C21H26N2/c1-3-7-17(8-4-1)19-11-12-23(15-19)16-21-13-20(14-22-21)18-9-5-2-6-10-18/h1-10,19-22H,11-16H2/t19-,20-,21-/m0/s1
InChIKeyAMQJWKXCLYHLOU-ACRUOGEOSA-N
MW306.45 g/mol
LogP3.62
Rot. Bonds4

About (3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine

(3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine (PubChem CID 67175624) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine
PubChem CID67175624
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name(3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine
SMILESc1ccc([C@@H]2CN[C@H](CN3CC[C@H](c4ccccc4)C3)C2)cc1
InChIInChI=1S/C21H26N2/c1-3-7-17(8-4-1)19-11-12-23(15-19)16-21-13-20(14-22-21)18-9-5-2-6-10-18/h1-10,19-22H,11-16H2/t19-,20-,21-/m0/s1
InChIKeyAMQJWKXCLYHLOU-ACRUOGEOSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine
CID 57365027
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
(3R)-3-phenyl-1-prop-2-enylpyrrolidine
CID 1414729
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
2-[(3-phenylazetidin-1-yl)methyl]piperidine
CID 79677520
3,5-dimethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 64737405
1-[(3-phenylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62133228
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62298901
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948
N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62615234

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine?
The IUPAC name of (3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine (CID 67175624) is (3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine?
The canonical SMILES for (3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine is c1ccc([C@@H]2CN[C@H](CN3CC[C@H](c4ccccc4)C3)C2)cc1.
What is the InChIKey of (3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine?
The InChIKey is AMQJWKXCLYHLOU-ACRUOGEOSA-N. The full InChI is InChI=1S/C21H26N2/c1-3-7-17(8-4-1)19-11-12-23(15-19)16-21-13-20(14-22-21)18-9-5-2-6-10-18/h1-10,19-22H,11-16H2/t19-,20-,21-/m0/s1.
What are the key properties of (3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine?
(3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine has a molecular weight of 306.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine is sourced from PubChem (CID 67175624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).