2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine

C13H19NO2 — CID 84686830

IUPAC2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
SMILESCOc1cc(C)c(OC)c(C2CCCN2)c1
InChIInChI=1S/C13H19NO2/c1-9-7-10(15-2)8-11(13(9)16-3)12-5-4-6-14-12/h7-8,12,14H,4-6H2,1-3H3
InChIKeyJARMLQHHPHNYGO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.44
Rot. Bonds3

About 2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine

2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine (PubChem CID 84686830) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
PubChem CID84686830
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
SMILESCOc1cc(C)c(OC)c(C2CCCN2)c1
InChIInChI=1S/C13H19NO2/c1-9-7-10(15-2)8-11(13(9)16-3)12-5-4-6-14-12/h7-8,12,14H,4-6H2,1-3H3
InChIKeyJARMLQHHPHNYGO-UHFFFAOYSA-N
XLogP2.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
CID 117428409
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine
CID 130676134
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 117483291
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
6-methoxy-8-methyl-3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84637119
2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine
CID 165356724
5-methoxy-1,7-dimethyl-2-pyrrolidin-2-ylindole
CID 84631519

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine?
The IUPAC name of 2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine (CID 84686830) is 2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine?
The canonical SMILES for 2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine is COc1cc(C)c(OC)c(C2CCCN2)c1.
What is the InChIKey of 2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine?
The InChIKey is JARMLQHHPHNYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-7-10(15-2)8-11(13(9)16-3)12-5-4-6-14-12/h7-8,12,14H,4-6H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine?
2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine is sourced from PubChem (CID 84686830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).