1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone

C17H25ClN2O — CID 91650668

IUPAC1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CN(C)CC(C)c2cccc(Cl)c2)C1
InChIInChI=1S/C17H25ClN2O/c1-13(16-5-4-6-17(18)9-16)10-19(3)11-15-7-8-20(12-15)14(2)21/h4-6,9,13,15H,7-8,10-12H2,1-3H3
InChIKeyFOVIPNKDCMSRFL-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.24
Rot. Bonds5

About 1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone

1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 91650668) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone
PubChem CID91650668
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CN(C)CC(C)c2cccc(Cl)c2)C1
InChIInChI=1S/C17H25ClN2O/c1-13(16-5-4-6-17(18)9-16)10-19(3)11-15-7-8-20(12-15)14(2)21/h4-6,9,13,15H,7-8,10-12H2,1-3H3
InChIKeyFOVIPNKDCMSRFL-UHFFFAOYSA-N
XLogP3.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone (CID 91650668) is 1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(CN(C)CC(C)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is FOVIPNKDCMSRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-13(16-5-4-6-17(18)9-16)10-19(3)11-15-7-8-20(12-15)14(2)21/h4-6,9,13,15H,7-8,10-12H2,1-3H3.
What are the key properties of 1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone?
1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 308.85 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(3-chlorophenyl)propyl-methylamino]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91650668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).