(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine

C21H28N2O — CID 59051523

IUPAC(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine
SMILESCN[C@@H](COCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H28N2O/c1-22-21(17-24-16-19-10-6-3-7-11-19)20-12-13-23(15-20)14-18-8-4-2-5-9-18/h2-11,20-22H,12-17H2,1H3/t20-,21+/m1/s1
InChIKeyKMBFAPUTOCNHKD-RTWAWAEBSA-N
MW324.47 g/mol
LogP3.31
Rot. Bonds8

About (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine

(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine (PubChem CID 59051523) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine.

Molecular Properties

Compound Name(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine
PubChem CID59051523
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine
SMILESCN[C@@H](COCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H28N2O/c1-22-21(17-24-16-19-10-6-3-7-11-19)20-12-13-23(15-20)14-18-8-4-2-5-9-18/h2-11,20-22H,12-17H2,1H3/t20-,21+/m1/s1
InChIKeyKMBFAPUTOCNHKD-RTWAWAEBSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine?
The IUPAC name of (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine (CID 59051523) is (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine.
What is the SMILES notation for (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine?
The canonical SMILES for (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine is CN[C@@H](COCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine?
The InChIKey is KMBFAPUTOCNHKD-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H28N2O/c1-22-21(17-24-16-19-10-6-3-7-11-19)20-12-13-23(15-20)14-18-8-4-2-5-9-18/h2-11,20-22H,12-17H2,1H3/t20-,21+/m1/s1.
What are the key properties of (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine?
(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine has a molecular weight of 324.47 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-N-methyl-2-phenylmethoxyethanamine is sourced from PubChem (CID 59051523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).