(2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine

C14H21NO — CID 124500769

IUPAC(2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
SMILESCOc1ccccc1[C@@H]1CCCN1C(C)C
InChIInChI=1S/C14H21NO/c1-11(2)15-10-6-8-13(15)12-7-4-5-9-14(12)16-3/h4-5,7,9,11,13H,6,8,10H2,1-3H3/t13-/m0/s1
InChIKeyAZOOBWXCNDJSCL-ZDUSSCGKSA-N
MW219.33 g/mol
LogP3.24
Rot. Bonds3

About (2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine

(2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine (PubChem CID 124500769) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
PubChem CID124500769
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
SMILESCOc1ccccc1[C@@H]1CCCN1C(C)C
InChIInChI=1S/C14H21NO/c1-11(2)15-10-6-8-13(15)12-7-4-5-9-14(12)16-3/h4-5,7,9,11,13H,6,8,10H2,1-3H3/t13-/m0/s1
InChIKeyAZOOBWXCNDJSCL-ZDUSSCGKSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine 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

(2R)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500768
1-propan-2-yl-2-(2-propan-2-ylphenyl)pyrrolidine
CID 167249257
2-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 51657078
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120500295
3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 120754014
4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
CID 120562159
2-(2-methoxyphenyl)-1-propylpiperidine
CID 102544278
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119771470
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenylacetamide
CID 25384402

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of (2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine (CID 124500769) is (2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine is COc1ccccc1[C@@H]1CCCN1C(C)C.
What is the InChIKey of (2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine?
The InChIKey is AZOOBWXCNDJSCL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)15-10-6-8-13(15)12-7-4-5-9-14(12)16-3/h4-5,7,9,11,13H,6,8,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine?
(2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 124500769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).