1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine

C18H28N2O — CID 63270961

IUPAC1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine
SMILESCOc1ccc(CC(C)N2CCCC2C2CCCN2)cc1
InChIInChI=1S/C18H28N2O/c1-14(13-15-7-9-16(21-2)10-8-15)20-12-4-6-18(20)17-5-3-11-19-17/h7-10,14,17-19H,3-6,11-13H2,1-2H3
InChIKeyDWXQRVPIULIUEQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.84
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine

1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 63270961) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine
PubChem CID63270961
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine
SMILESCOc1ccc(CC(C)N2CCCC2C2CCCN2)cc1
InChIInChI=1S/C18H28N2O/c1-14(13-15-7-9-16(21-2)10-8-15)20-12-4-6-18(20)17-5-3-11-19-17/h7-10,14,17-19H,3-6,11-13H2,1-2H3
InChIKeyDWXQRVPIULIUEQ-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine
CID 55180167
1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpiperidine
CID 63256708
1-nonan-2-yl-2-pyrrolidin-2-ylpyrrolidine
CID 55053955
(4aS,8aR)-4-[2-(4-methoxyphenyl)ethyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675884
1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978832
1-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62274395
1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273875
1-propan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 63256346
1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 80557844
4-(4-methoxyphenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571347
(4aS,8aR)-4-(4-methoxyphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675892
1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine
CID 62274223

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine (CID 63270961) is 1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine is COc1ccc(CC(C)N2CCCC2C2CCCN2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is DWXQRVPIULIUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(13-15-7-9-16(21-2)10-8-15)20-12-4-6-18(20)17-5-3-11-19-17/h7-10,14,17-19H,3-6,11-13H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine?
1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 288.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 63270961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).