1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone

C15H21BrN2O — CID 115275282

IUPAC1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone
SMILESCc1ccc(Br)cc1CC(=O)N1CCC(N)C1(C)C
InChIInChI=1S/C15H21BrN2O/c1-10-4-5-12(16)8-11(10)9-14(19)18-7-6-13(17)15(18,2)3/h4-5,8,13H,6-7,9,17H2,1-3H3
InChIKeyVZFSNQBRGWRALE-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.64
Rot. Bonds2

About 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone

1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone (PubChem CID 115275282) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone
PubChem CID115275282
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone
SMILESCc1ccc(Br)cc1CC(=O)N1CCC(N)C1(C)C
InChIInChI=1S/C15H21BrN2O/c1-10-4-5-12(16)8-11(10)9-14(19)18-7-6-13(17)15(18,2)3/h4-5,8,13H,6-7,9,17H2,1-3H3
InChIKeyVZFSNQBRGWRALE-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone
CID 110774438
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 120818565
1-[3-(5-bromo-2-methylphenyl)propanoyl]-5,5-dimethylpyrrolidin-3-one
CID 115275581
1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone
CID 131208761
1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189906
3-(5-bromo-2-methylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 175640093
3-(5-bromo-2-methylphenyl)propanamide
CID 175640046
1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-3-pyridin-2-ylpropan-1-one
CID 115275314
1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 115269326
1-(5-bromo-2-methylphenyl)-3-chloropropan-2-one
CID 130766659
1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine
CID 117019252
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone?
The IUPAC name of 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone (CID 115275282) is 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone?
The canonical SMILES for 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone is Cc1ccc(Br)cc1CC(=O)N1CCC(N)C1(C)C.
What is the InChIKey of 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone?
The InChIKey is VZFSNQBRGWRALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-4-5-12(16)8-11(10)9-14(19)18-7-6-13(17)15(18,2)3/h4-5,8,13H,6-7,9,17H2,1-3H3.
What are the key properties of 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone?
1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone has a molecular weight of 325.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone is sourced from PubChem (CID 115275282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).