(3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine

C14H21N — CID 124562401

IUPAC(3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine
SMILESCCC[C@@H]1CNC[C@H]1c1ccc(C)cc1
InChIInChI=1S/C14H21N/c1-3-4-13-9-15-10-14(13)12-7-5-11(2)6-8-12/h5-8,13-15H,3-4,9-10H2,1-2H3/t13-,14+/m1/s1
InChIKeySDLYJQGZRSJHFQ-KGLIPLIRSA-N
MW203.33 g/mol
LogP3.10
Rot. Bonds3

About (3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine

(3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine (PubChem CID 124562401) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine.

Molecular Properties

Compound Name(3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine
PubChem CID124562401
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine
SMILESCCC[C@@H]1CNC[C@H]1c1ccc(C)cc1
InChIInChI=1S/C14H21N/c1-3-4-13-9-15-10-14(13)12-7-5-11(2)6-8-12/h5-8,13-15H,3-4,9-10H2,1-2H3/t13-,14+/m1/s1
InChIKeySDLYJQGZRSJHFQ-KGLIPLIRSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine?
The IUPAC name of (3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine (CID 124562401) is (3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine.
What is the SMILES notation for (3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine?
The canonical SMILES for (3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine is CCC[C@@H]1CNC[C@H]1c1ccc(C)cc1.
What is the InChIKey of (3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine?
The InChIKey is SDLYJQGZRSJHFQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H21N/c1-3-4-13-9-15-10-14(13)12-7-5-11(2)6-8-12/h5-8,13-15H,3-4,9-10H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine?
(3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine is sourced from PubChem (CID 124562401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).