(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine

C14H21NO — CID 58422845

IUPAC(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
SMILESCOc1cccc([C@@H](C)C[C@H]2CCNC2)c1
InChIInChI=1S/C14H21NO/c1-11(8-12-6-7-15-10-12)13-4-3-5-14(9-13)16-2/h3-5,9,11-12,15H,6-8,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyHFDRHSLLXWFKLO-NWDGAFQWSA-N
MW219.33 g/mol
LogP2.80
Rot. Bonds4

About (3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine

(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine (PubChem CID 58422845) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
PubChem CID58422845
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
SMILESCOc1cccc([C@@H](C)C[C@H]2CCNC2)c1
InChIInChI=1S/C14H21NO/c1-11(8-12-6-7-15-10-12)13-4-3-5-14(9-13)16-2/h3-5,9,11-12,15H,6-8,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyHFDRHSLLXWFKLO-NWDGAFQWSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine 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

3-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493506
3-(1-pyrrolidin-3-ylpropan-2-yl)phenol
CID 83908768
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114
(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
CID 95366455
3-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907317
2-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493505
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;tert-butyl pyrrolidine-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;(3R)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine;1-methoxy-3-propan-2-ylbenzene
CID 161382115
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 63301494
3-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 81259552
3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119427977
4-(1-pyrrolidin-3-ylpropan-2-yl)pyridine
CID 83907315

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine?
The IUPAC name of (3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine (CID 58422845) is (3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine is COc1cccc([C@@H](C)C[C@H]2CCNC2)c1.
What is the InChIKey of (3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine?
The InChIKey is HFDRHSLLXWFKLO-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(8-12-6-7-15-10-12)13-4-3-5-14(9-13)16-2/h3-5,9,11-12,15H,6-8,10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine?
(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine is sourced from PubChem (CID 58422845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).