2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine

C15H23NO2 — CID 117377110

IUPAC2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
SMILESCOc1cc(C)c(C)c(CC2CCCN2)c1OC
InChIInChI=1S/C15H23NO2/c1-10-8-14(17-3)15(18-4)13(11(10)2)9-12-6-5-7-16-12/h8,12,16H,5-7,9H2,1-4H3
InChIKeyHXFKLBMSQFNBKZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.62
Rot. Bonds4

About 2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine

2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine (PubChem CID 117377110) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
PubChem CID117377110
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
SMILESCOc1cc(C)c(C)c(CC2CCCN2)c1OC
InChIInChI=1S/C15H23NO2/c1-10-8-14(17-3)15(18-4)13(11(10)2)9-12-6-5-7-16-12/h8,12,16H,5-7,9H2,1-4H3
InChIKeyHXFKLBMSQFNBKZ-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117427732
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine
CID 117387647
2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine
CID 117386317
5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117432090
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine
CID 117479585
2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine
CID 117413480
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117467262

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine (CID 117377110) is 2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine is COc1cc(C)c(C)c(CC2CCCN2)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine?
The InChIKey is HXFKLBMSQFNBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-8-14(17-3)15(18-4)13(11(10)2)9-12-6-5-7-16-12/h8,12,16H,5-7,9H2,1-4H3.
What are the key properties of 2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine?
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine has a molecular weight of 249.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117377110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).