2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine

C16H24N2O — CID 117405565

IUPAC2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine
SMILESCOc1ccc(N2CCCC2)c(C2(C)CCCN2)c1
InChIInChI=1S/C16H24N2O/c1-16(8-5-9-17-16)14-12-13(19-2)6-7-15(14)18-10-3-4-11-18/h6-7,12,17H,3-5,8-11H2,1-2H3
InChIKeyZIMCWEOJTVRDRG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.89
Rot. Bonds3

About 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine

2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine (PubChem CID 117405565) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine
PubChem CID117405565
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine
SMILESCOc1ccc(N2CCCC2)c(C2(C)CCCN2)c1
InChIInChI=1S/C16H24N2O/c1-16(8-5-9-17-16)14-12-13(19-2)6-7-15(14)18-10-3-4-11-18/h6-7,12,17H,3-5,8-11H2,1-2H3
InChIKeyZIMCWEOJTVRDRG-UHFFFAOYSA-N
XLogP2.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-methoxy-2-methylphenyl)-2-methylpyrrolidine
CID 117293900
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992
4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline
CID 117341086
2-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine
CID 117405563
5-methoxy-1-methyl-3-(2-methylpyrrolidin-2-yl)indole
CID 82664697
2-(4-methoxy-2-methylphenyl)-2-methylazepane
CID 79118168
2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid
CID 117467602
7-methoxy-4-(2-methylpyrrolidin-2-yl)quinoline
CID 82664348
2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine
CID 117457126
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine (CID 117405565) is 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine is COc1ccc(N2CCCC2)c(C2(C)CCCN2)c1.
What is the InChIKey of 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine?
The InChIKey is ZIMCWEOJTVRDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(8-5-9-17-16)14-12-13(19-2)6-7-15(14)18-10-3-4-11-18/h6-7,12,17H,3-5,8-11H2,1-2H3.
What are the key properties of 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine?
2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine has a molecular weight of 260.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117405565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).