2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine

C16H25NO3 — CID 117448348

IUPAC2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine
SMILESCOc1ccc(C2(C)CCCN2)c(OC(C)C)c1OC
InChIInChI=1S/C16H25NO3/c1-11(2)20-14-12(16(3)9-6-10-17-16)7-8-13(18-4)15(14)19-5/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyACZMLWIODOKQPS-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.09
Rot. Bonds5

About 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine

2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine (PubChem CID 117448348) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine
PubChem CID117448348
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine
SMILESCOc1ccc(C2(C)CCCN2)c(OC(C)C)c1OC
InChIInChI=1S/C16H25NO3/c1-11(2)20-14-12(16(3)9-6-10-17-16)7-8-13(18-4)15(14)19-5/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyACZMLWIODOKQPS-UHFFFAOYSA-N
XLogP3.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117422224
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-(7-methoxy-2-methyl-1-benzofuran-4-yl)-2-methylpyrrolidine
CID 82622635
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117347144
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
2-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine
CID 117405563

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine (CID 117448348) is 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine is COc1ccc(C2(C)CCCN2)c(OC(C)C)c1OC.
What is the InChIKey of 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine?
The InChIKey is ACZMLWIODOKQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(2)20-14-12(16(3)9-6-10-17-16)7-8-13(18-4)15(14)19-5/h7-8,11,17H,6,9-10H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine?
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine has a molecular weight of 279.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117448348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).