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

C14H21NO2 — CID 23009517

IUPAC4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine
SMILESCOc1ccc(CC2CNC(C)C2)cc1OC
InChIInChI=1S/C14H21NO2/c1-10-6-12(9-15-10)7-11-4-5-13(16-2)14(8-11)17-3/h4-5,8,10,12,15H,6-7,9H2,1-3H3
InChIKeyYSOYFIVEYLPHKB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds4

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

4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine (PubChem CID 23009517) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine
PubChem CID23009517
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine
SMILESCOc1ccc(CC2CNC(C)C2)cc1OC
InChIInChI=1S/C14H21NO2/c1-10-6-12(9-15-10)7-11-4-5-13(16-2)14(8-11)17-3/h4-5,8,10,12,15H,6-7,9H2,1-3H3
InChIKeyYSOYFIVEYLPHKB-UHFFFAOYSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 23009519
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane
CID 24727770
3-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 79452527
2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-one
CID 83841846
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 688594
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride
CID 90679135
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine
CID 115207629
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
(2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran
CID 135056530

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine (CID 23009517) is 4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine is COc1ccc(CC2CNC(C)C2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine?
The InChIKey is YSOYFIVEYLPHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-6-12(9-15-10)7-11-4-5-13(16-2)14(8-11)17-3/h4-5,8,10,12,15H,6-7,9H2,1-3H3.
What are the key properties of 4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine?
4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 23009517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).