2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine

C14H21NO2 — CID 23452506

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
SMILESCOc1ccc(CC2CCCN2C)cc1OC
InChIInChI=1S/C14H21NO2/c1-15-8-4-5-12(15)9-11-6-7-13(16-2)14(10-11)17-3/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyCIBZMZKJKZJUSQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.34
Rot. Bonds4

About 2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine

2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine (PubChem CID 23452506) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
PubChem CID23452506
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
SMILESCOc1ccc(CC2CCCN2C)cc1OC
InChIInChI=1S/C14H21NO2/c1-15-8-4-5-12(15)9-11-6-7-13(16-2)14(10-11)17-3/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyCIBZMZKJKZJUSQ-UHFFFAOYSA-N
XLogP2.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine (CID 23452506) is 2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine is COc1ccc(CC2CCCN2C)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine?
The InChIKey is CIBZMZKJKZJUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15-8-4-5-12(15)9-11-6-7-13(16-2)14(10-11)17-3/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine?
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 23452506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).