1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone

C15H21BrN2O — CID 79319803

IUPAC1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
SMILESCN(CC(=O)c1cccc(Br)c1)CC1CCCN1C
InChIInChI=1S/C15H21BrN2O/c1-17(10-14-7-4-8-18(14)2)11-15(19)12-5-3-6-13(16)9-12/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3
InChIKeyBYHOGVGKDYBQHY-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.66
Rot. Bonds5

About 1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone

1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone (PubChem CID 79319803) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
PubChem CID79319803
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
SMILESCN(CC(=O)c1cccc(Br)c1)CC1CCCN1C
InChIInChI=1S/C15H21BrN2O/c1-17(10-14-7-4-8-18(14)2)11-15(19)12-5-3-6-13(16)9-12/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3
InChIKeyBYHOGVGKDYBQHY-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79313470
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone
CID 79319620
1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319708
1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319202
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 79319089
1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227315
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61431815
1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 55256902
1-(4-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79312393
1-(2,5-dibromothiophen-3-yl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79318977
1-(2,4-dichlorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319415
1-(3-bromophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886122

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone (CID 79319803) is 1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone is CN(CC(=O)c1cccc(Br)c1)CC1CCCN1C.
What is the InChIKey of 1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone?
The InChIKey is BYHOGVGKDYBQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-17(10-14-7-4-8-18(14)2)11-15(19)12-5-3-6-13(16)9-12/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone?
1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone has a molecular weight of 325.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone is sourced from PubChem (CID 79319803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).