(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine

C15H23NO2 — CID 141200367

IUPAC(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1CCCOc1ccccc1
InChIInChI=1S/C15H23NO2/c1-17-13-14-7-5-10-16(14)11-6-12-18-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3/t14-/m0/s1
InChIKeyWOJKDBXEEDOESZ-AWEZNQCLSA-N
MW249.35 g/mol
LogP2.57
Rot. Bonds7

About (2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine

(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine (PubChem CID 141200367) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
PubChem CID141200367
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1CCCOc1ccccc1
InChIInChI=1S/C15H23NO2/c1-17-13-14-7-5-10-16(14)11-6-12-18-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3/t14-/m0/s1
InChIKeyWOJKDBXEEDOESZ-AWEZNQCLSA-N
XLogP2.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 91831409
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine
CID 80671046
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62937477
N-methyl-1-[1-(2-phenoxyethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928558
[3-methyl-1-(3-phenoxypropyl)piperidin-2-yl]methanamine
CID 62935912
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine
CID 165463199
2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol
CID 111490186
[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methyl benzenesulfonate
CID 19803901
(2R)-1-[3-(4-iodophenoxy)propyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 124565487

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine (CID 141200367) is (2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine is COC[C@@H]1CCCN1CCCOc1ccccc1.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine?
The InChIKey is WOJKDBXEEDOESZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-13-14-7-5-10-16(14)11-6-12-18-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine?
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine has a molecular weight of 249.35 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine is sourced from PubChem (CID 141200367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).