2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine

C16H25NO — CID 103433658

IUPAC2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
SMILESCOc1c(C2(C(C)C)CCCN2)ccc(C)c1C
InChIInChI=1S/C16H25NO/c1-11(2)16(9-6-10-17-16)14-8-7-12(3)13(4)15(14)18-5/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyHOKGSYQAPNTDNK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds3

About 2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine

2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine (PubChem CID 103433658) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
PubChem CID103433658
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
SMILESCOc1c(C2(C(C)C)CCCN2)ccc(C)c1C
InChIInChI=1S/C16H25NO/c1-11(2)16(9-6-10-17-16)14-8-7-12(3)13(4)15(14)18-5/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyHOKGSYQAPNTDNK-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine (CID 103433658) is 2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine is COc1c(C2(C(C)C)CCCN2)ccc(C)c1C.
What is the InChIKey of 2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine?
The InChIKey is HOKGSYQAPNTDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)16(9-6-10-17-16)14-8-7-12(3)13(4)15(14)18-5/h7-8,11,17H,6,9-10H2,1-5H3.
What are the key properties of 2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine?
2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 103433658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).