3-[(3-methoxyphenyl)methoxy]pyrrolidine

C12H17NO2 — CID 20735282

IUPAC3-[(3-methoxyphenyl)methoxy]pyrrolidine
SMILESCOc1cccc(COC2CCNC2)c1
InChIInChI=1S/C12H17NO2/c1-14-11-4-2-3-10(7-11)9-15-12-5-6-13-8-12/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyQJUMOAJTJOCNAT-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.57
Rot. Bonds4

About 3-[(3-methoxyphenyl)methoxy]pyrrolidine

3-[(3-methoxyphenyl)methoxy]pyrrolidine (PubChem CID 20735282) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxy]pyrrolidine.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methoxy]pyrrolidine
PubChem CID20735282
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-[(3-methoxyphenyl)methoxy]pyrrolidine
SMILESCOc1cccc(COC2CCNC2)c1
InChIInChI=1S/C12H17NO2/c1-14-11-4-2-3-10(7-11)9-15-12-5-6-13-8-12/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyQJUMOAJTJOCNAT-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
CID 26191874
3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409416
3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
CID 45075467
3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine
CID 68927596
3-[(3-nitrophenyl)methoxy]pyrrolidine
CID 18388249
3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 122357463
(3S)-3-(3-ethylphenoxy)pyrrolidine
CID 26192115
3-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 84787596
3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridine;dihydrochloride
CID 66987447
N-(3-methoxyphenyl)-2-pyrrolidin-3-yloxyacetamide
CID 62327564
4-[(3-methylphenyl)methoxy]piperidine;hydrochloride
CID 45075442
3-[(3-bromophenyl)methoxy]piperidine
CID 53409415

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxy]pyrrolidine?
The IUPAC name of 3-[(3-methoxyphenyl)methoxy]pyrrolidine (CID 20735282) is 3-[(3-methoxyphenyl)methoxy]pyrrolidine.
What is the SMILES notation for 3-[(3-methoxyphenyl)methoxy]pyrrolidine?
The canonical SMILES for 3-[(3-methoxyphenyl)methoxy]pyrrolidine is COc1cccc(COC2CCNC2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methoxy]pyrrolidine?
The InChIKey is QJUMOAJTJOCNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-11-4-2-3-10(7-11)9-15-12-5-6-13-8-12/h2-4,7,12-13H,5-6,8-9H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)methoxy]pyrrolidine?
3-[(3-methoxyphenyl)methoxy]pyrrolidine has a molecular weight of 207.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methoxy]pyrrolidine is sourced from PubChem (CID 20735282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).