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

C13H18ClN — CID 125452847

IUPAC(3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine
SMILESCCC[C@H]1CNC[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN/c1-2-4-11-8-15-9-13(11)10-5-3-6-12(14)7-10/h3,5-7,11,13,15H,2,4,8-9H2,1H3/t11-,13+/m0/s1
InChIKeyLZWHRYWTICDSQE-WCQYABFASA-N
MW223.75 g/mol
LogP3.44
Rot. Bonds3

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

(3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine (PubChem CID 125452847) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine.

Molecular Properties

Compound Name(3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine
PubChem CID125452847
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine
SMILESCCC[C@H]1CNC[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN/c1-2-4-11-8-15-9-13(11)10-5-3-6-12(14)7-10/h3,5-7,11,13,15H,2,4,8-9H2,1H3/t11-,13+/m0/s1
InChIKeyLZWHRYWTICDSQE-WCQYABFASA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4R)-3-(3-chlorophenyl)-4-ethylpyrrolidine
CID 125451676
4-(3-chlorophenyl)-3-propylpiperidine
CID 79321401
(3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine
CID 125452265
(3R,4S)-3-(4-methylphenyl)-4-propylpyrrolidine
CID 124562401
(3S,4R)-3-(4-chlorophenyl)-4-ethylpyrrolidine
CID 125453406
(3R,4S)-3-ethyl-4-phenylpyrrolidine
CID 124705784
(3S,4R)-3-ethyl-4-phenylpyrrolidine
CID 124705552
3-(3-chlorophenyl)-4-pentan-3-ylpiperidine
CID 79433289
1-[4-(3-chlorophenyl)pyrrolidin-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 67218389
(3S,4R)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 2762108
3-(3-chlorophenyl)azetidine;hydrochloride
CID 72698856
[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 25220548

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine?
The IUPAC name of (3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine (CID 125452847) is (3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine.
What is the SMILES notation for (3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine?
The canonical SMILES for (3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine is CCC[C@H]1CNC[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine?
The InChIKey is LZWHRYWTICDSQE-WCQYABFASA-N. The full InChI is InChI=1S/C13H18ClN/c1-2-4-11-8-15-9-13(11)10-5-3-6-12(14)7-10/h3,5-7,11,13,15H,2,4,8-9H2,1H3/t11-,13+/m0/s1.
What are the key properties of (3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine?
(3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine has a molecular weight of 223.75 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(3-chlorophenyl)-4-propylpyrrolidine is sourced from PubChem (CID 125452847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).