2-[2-(3-methylphenoxy)ethyl]pyrrolidine

C13H19NO — CID 23339440

IUPAC2-[2-(3-methylphenoxy)ethyl]pyrrolidine
SMILESCc1cccc(OCCC2CCCN2)c1
InChIInChI=1S/C13H19NO/c1-11-4-2-6-13(10-11)15-9-7-12-5-3-8-14-12/h2,4,6,10,12,14H,3,5,7-9H2,1H3
InChIKeyFGVVINIIIIWDRJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds4

About 2-[2-(3-methylphenoxy)ethyl]pyrrolidine

2-[2-(3-methylphenoxy)ethyl]pyrrolidine (PubChem CID 23339440) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[2-(3-methylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(3-methylphenoxy)ethyl]pyrrolidine
PubChem CID23339440
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[2-(3-methylphenoxy)ethyl]pyrrolidine
SMILESCc1cccc(OCCC2CCCN2)c1
InChIInChI=1S/C13H19NO/c1-11-4-2-6-13(10-11)15-9-7-12-5-3-8-14-12/h2,4,6,10,12,14H,3,5,7-9H2,1H3
InChIKeyFGVVINIIIIWDRJ-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803
N-[2-(3-methylphenoxy)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540182
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
CID 82354047
1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273920
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
CID 82354040
2-[2-(3-methylphenoxy)propyl]piperidine
CID 105493585
6-(2-pyrrolidin-2-ylethoxy)quinoline
CID 82130155
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 2-[2-(3-methylphenoxy)ethyl]pyrrolidine (CID 23339440) is 2-[2-(3-methylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(3-methylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 2-[2-(3-methylphenoxy)ethyl]pyrrolidine is Cc1cccc(OCCC2CCCN2)c1.
What is the InChIKey of 2-[2-(3-methylphenoxy)ethyl]pyrrolidine?
The InChIKey is FGVVINIIIIWDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-4-2-6-13(10-11)15-9-7-12-5-3-8-14-12/h2,4,6,10,12,14H,3,5,7-9H2,1H3.
What are the key properties of 2-[2-(3-methylphenoxy)ethyl]pyrrolidine?
2-[2-(3-methylphenoxy)ethyl]pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 23339440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).