(2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine

C16H25NO3 — CID 91831409

IUPAC(2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
SMILESCOC[C@H]1CCCN1CCCOc1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-18-13-14-5-3-10-17(14)11-4-12-20-16-8-6-15(19-2)7-9-16/h6-9,14H,3-5,10-13H2,1-2H3/t14-/m1/s1
InChIKeyXFNAITNWDOFGJB-CQSZACIVSA-N
MW279.38 g/mol
LogP2.57
Rot. Bonds8

About (2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine

(2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine (PubChem CID 91831409) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
PubChem CID91831409
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
SMILESCOC[C@H]1CCCN1CCCOc1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-18-13-14-5-3-10-17(14)11-4-12-20-16-8-6-15(19-2)7-9-16/h6-9,14H,3-5,10-13H2,1-2H3/t14-/m1/s1
InChIKeyXFNAITNWDOFGJB-CQSZACIVSA-N
XLogP2.57
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467287
1-[2-[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 56781703
2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 55409373
(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 10801648
1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine
CID 165463199
(2R)-1-[3-(4-iodophenoxy)propyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 124565487
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
3-[2-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 121201536
1-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-[2-(4-methoxyphenoxy)ethyl]guanidine
CID 111410321
2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol
CID 60690500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine?
The IUPAC name of (2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine (CID 91831409) is (2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine.
What is the SMILES notation for (2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine?
The canonical SMILES for (2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine is COC[C@H]1CCCN1CCCOc1ccc(OC)cc1.
What is the InChIKey of (2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine?
The InChIKey is XFNAITNWDOFGJB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-13-14-5-3-10-17(14)11-4-12-20-16-8-6-15(19-2)7-9-16/h6-9,14H,3-5,10-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine?
(2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine has a molecular weight of 279.38 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 91831409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).