1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one

C15H21BrN2O2 — CID 111121937

IUPAC1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one
SMILESCN(CCN1CCCC1=O)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-17(9-10-18-8-2-3-15(18)20)11-14(19)12-4-6-13(16)7-5-12/h4-7,14,19H,2-3,8-11H2,1H3
InChIKeyXNOWFVPCQFFWCP-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.04
Rot. Bonds6

About 1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one

1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one (PubChem CID 111121937) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one
PubChem CID111121937
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one
SMILESCN(CCN1CCCC1=O)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-17(9-10-18-8-2-3-15(18)20)11-14(19)12-4-6-13(16)7-5-12/h4-7,14,19H,2-3,8-11H2,1H3
InChIKeyXNOWFVPCQFFWCP-UHFFFAOYSA-N
XLogP2.04
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]pyrrolidin-2-one
CID 71999862
1-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]ethyl]pyrrolidin-2-one
CID 111121945
1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 63211396
1-[2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]ethyl]pyrrolidin-2-one
CID 111122276
1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 124754856
1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol
CID 110935898
1-[2-[5-hydroxypentyl(methyl)amino]ethyl]pyrrolidin-2-one
CID 111122278
2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]-1-cyclopropylethanol
CID 111858636
1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one
CID 60931846
1-(3-hydroxy-3-phenylpropyl)azocan-2-one
CID 116693124
1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol
CID 63210893
3-[3-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
CID 13319944

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one (CID 111121937) is 1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one is CN(CCN1CCCC1=O)CC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is XNOWFVPCQFFWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-17(9-10-18-8-2-3-15(18)20)11-14(19)12-4-6-13(16)7-5-12/h4-7,14,19H,2-3,8-11H2,1H3.
What are the key properties of 1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one?
1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 341.25 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 111121937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).