2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine

C14H21NO2 — CID 117271916

IUPAC2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine
SMILESCOCC1(Cc2ccc(OC)cc2)CCCN1
InChIInChI=1S/C14H21NO2/c1-16-11-14(8-3-9-15-14)10-12-4-6-13(17-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3
InChIKeyXEBJZNRHUHCZTA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.01
Rot. Bonds5

About 2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine

2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine (PubChem CID 117271916) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine
PubChem CID117271916
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine
SMILESCOCC1(Cc2ccc(OC)cc2)CCCN1
InChIInChI=1S/C14H21NO2/c1-16-11-14(8-3-9-15-14)10-12-4-6-13(17-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3
InChIKeyXEBJZNRHUHCZTA-UHFFFAOYSA-N
XLogP2.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-2-[(4-methylphenyl)methyl]piperidine
CID 117272056
2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine
CID 115059003
2-(methoxymethyl)-2-[(2-methylphenyl)methyl]piperidine
CID 117272049
2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117271903
4-[[2-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]phenol
CID 115058876
2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615859
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
2-ethyl-2-[(4-methylphenyl)methyl]piperidine
CID 115058967
(2R)-2-benzyl-2-propylpyrrolidine
CID 124511321
2-[(4-methylphenyl)methyl]-2-propylpiperidine
CID 115058989
3-[(4-methoxyphenyl)methyl]azetidin-3-ol
CID 83685225
2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine
CID 66465553

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine (CID 117271916) is 2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine is COCC1(Cc2ccc(OC)cc2)CCCN1.
What is the InChIKey of 2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is XEBJZNRHUHCZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-11-14(8-3-9-15-14)10-12-4-6-13(17-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine?
2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117271916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).