(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine

C22H29FN2O — CID 11617371

IUPAC(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine
SMILESN[C@@H](CCN1CCC[C@H]1COCc1ccccc1)Cc1ccccc1F
InChIInChI=1S/C22H29FN2O/c23-22-11-5-4-9-19(22)15-20(24)12-14-25-13-6-10-21(25)17-26-16-18-7-2-1-3-8-18/h1-5,7-9,11,20-21H,6,10,12-17,24H2/t20-,21-/m0/s1
InChIKeyWBLNMKBCPBWCTL-SFTDATJTSA-N
MW356.48 g/mol
LogP3.77
Rot. Bonds9

About (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine

(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine (PubChem CID 11617371) has the molecular formula C22H29FN2O and a molecular weight of 356.48 g/mol. Its IUPAC name is (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine
PubChem CID11617371
Molecular FormulaC22H29FN2O
Molecular Weight356.48 g/mol
Exact Mass356.23
IUPAC Name(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine
SMILESN[C@@H](CCN1CCC[C@H]1COCc1ccccc1)Cc1ccccc1F
InChIInChI=1S/C22H29FN2O/c23-22-11-5-4-9-19(22)15-20(24)12-14-25-13-6-10-21(25)17-26-16-18-7-2-1-3-8-18/h1-5,7-9,11,20-21H,6,10,12-17,24H2/t20-,21-/m0/s1
InChIKeyWBLNMKBCPBWCTL-SFTDATJTSA-N
XLogP3.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine 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 (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine?
The IUPAC name of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine (CID 11617371) is (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine.
What is the SMILES notation for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine?
The canonical SMILES for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine is N[C@@H](CCN1CCC[C@H]1COCc1ccccc1)Cc1ccccc1F.
What is the InChIKey of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine?
The InChIKey is WBLNMKBCPBWCTL-SFTDATJTSA-N. The full InChI is InChI=1S/C22H29FN2O/c23-22-11-5-4-9-19(22)15-20(24)12-14-25-13-6-10-21(25)17-26-16-18-7-2-1-3-8-18/h1-5,7-9,11,20-21H,6,10,12-17,24H2/t20-,21-/m0/s1.
What are the key properties of (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine?
(2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine has a molecular weight of 356.48 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluorophenyl)-4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-amine is sourced from PubChem (CID 11617371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).