(3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine

C18H21NO2 — CID 71562265

IUPAC(3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine
SMILESCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H21NO2/c1-20-16-9-5-6-10-17(16)21-18(15-11-12-19-13-15)14-7-3-2-4-8-14/h2-10,15,18-19H,11-13H2,1H3/t15-,18-/m0/s1
InChIKeyWDFMVSDPRALOJK-YJBOKZPZSA-N
MW283.37 g/mol
LogP3.42
Rot. Bonds5

About (3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine

(3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine (PubChem CID 71562265) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine
PubChem CID71562265
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine
SMILESCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C18H21NO2/c1-20-16-9-5-6-10-17(16)21-18(15-11-12-19-13-15)14-7-3-2-4-8-14/h2-10,15,18-19H,11-13H2,1H3/t15-,18-/m0/s1
InChIKeyWDFMVSDPRALOJK-YJBOKZPZSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine 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 (3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine (CID 71562265) is (3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine is COc1ccccc1O[C@@H](c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine?
The InChIKey is WDFMVSDPRALOJK-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-16-9-5-6-10-17(16)21-18(15-11-12-19-13-15)14-7-3-2-4-8-14/h2-10,15,18-19H,11-13H2,1H3/t15-,18-/m0/s1.
What are the key properties of (3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine?
(3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine has a molecular weight of 283.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(R)-(2-methoxyphenoxy)-phenylmethyl]pyrrolidine is sourced from PubChem (CID 71562265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).