(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine

C13H19NO2 — CID 93080822

IUPAC(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
SMILESCOc1cccc(OCC[C@@H]2CCNC2)c1
InChIInChI=1S/C13H19NO2/c1-15-12-3-2-4-13(9-12)16-8-6-11-5-7-14-10-11/h2-4,9,11,14H,5-8,10H2,1H3/t11-/m0/s1
InChIKeyJUWMQOQESYDXLC-NSHDSACASA-N
MW221.30 g/mol
LogP2.07
Rot. Bonds5

About (3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine

(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine (PubChem CID 93080822) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
PubChem CID93080822
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
SMILESCOc1cccc(OCC[C@@H]2CCNC2)c1
InChIInChI=1S/C13H19NO2/c1-15-12-3-2-4-13(9-12)16-8-6-11-5-7-14-10-11/h2-4,9,11,14H,5-8,10H2,1H3/t11-/m0/s1
InChIKeyJUWMQOQESYDXLC-NSHDSACASA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
(3R)-3-[2-(3-ethoxyphenoxy)ethyl]piperidine
CID 86321619
3-[2-[3-(methoxymethyl)phenoxy]ethyl]piperidine
CID 63986374
(3R)-3-[2-(3-tert-butylphenoxy)ethyl]piperidine
CID 86321202
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208
4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride
CID 56830247
6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline
CID 106542215
4-[2-(3-iodophenoxy)ethyl]piperidine
CID 105061225
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514
(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide
CID 124687672
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine?
The IUPAC name of (3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine (CID 93080822) is (3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine is COc1cccc(OCC[C@@H]2CCNC2)c1.
What is the InChIKey of (3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine?
The InChIKey is JUWMQOQESYDXLC-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-12-3-2-4-13(9-12)16-8-6-11-5-7-14-10-11/h2-4,9,11,14H,5-8,10H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine?
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 93080822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).