3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine

C15H23NO2 — CID 117377277

IUPAC3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine
SMILESCOc1ccc(C2CCNC2)c(OC)c1C(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)14-13(17-3)6-5-12(15(14)18-4)11-7-8-16-9-11/h5-6,10-11,16H,7-9H2,1-4H3
InChIKeyHKDDKXDPCUTPCL-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.90
Rot. Bonds4

About 3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine

3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine (PubChem CID 117377277) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine
PubChem CID117377277
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine
SMILESCOc1ccc(C2CCNC2)c(OC)c1C(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)14-13(17-3)6-5-12(15(14)18-4)11-7-8-16-9-11/h5-6,10-11,16H,7-9H2,1-4H3
InChIKeyHKDDKXDPCUTPCL-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
3-(2,4-dimethoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117386712
3-(3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117293921
4-(2,4-dimethoxy-3-methylphenyl)azepane
CID 82297126
3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine
CID 117381710
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-(3-chloro-5-methoxy-4-propan-2-ylphenyl)pyrrolidine
CID 117387946
3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine
CID 84700227
3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine
CID 117435702

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine (CID 117377277) is 3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine is COc1ccc(C2CCNC2)c(OC)c1C(C)C.
What is the InChIKey of 3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine?
The InChIKey is HKDDKXDPCUTPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)14-13(17-3)6-5-12(15(14)18-4)11-7-8-16-9-11/h5-6,10-11,16H,7-9H2,1-4H3.
What are the key properties of 3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine?
3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine has a molecular weight of 249.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 117377277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).