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

C15H21BrN2O — CID 79319708

IUPAC1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
SMILESCN(CC(=O)c1ccccc1Br)CC1CCCN1C
InChIInChI=1S/C15H21BrN2O/c1-17(10-12-6-5-9-18(12)2)11-15(19)13-7-3-4-8-14(13)16/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyDOTQXXPDIIWIJJ-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.66
Rot. Bonds5

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

1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone (PubChem CID 79319708) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
PubChem CID79319708
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
SMILESCN(CC(=O)c1ccccc1Br)CC1CCCN1C
InChIInChI=1S/C15H21BrN2O/c1-17(10-12-6-5-9-18(12)2)11-15(19)13-7-3-4-8-14(13)16/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyDOTQXXPDIIWIJJ-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-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984093
1-(2,5-dibromothiophen-3-yl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79318977
1-(3-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319803
1-(2,4-dichlorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319415
1-(4-iodophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319202
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropan-2-one
CID 79318976
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 79319089
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone
CID 79319620
1-(2-methoxy-4-methylphenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79310457
1-(2-bromophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanone
CID 63713643
2-[[methyl-[(1-methylpiperidin-2-yl)methyl]amino]methyl]benzoic acid
CID 77081369
1-(4-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79312393

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone (CID 79319708) is 1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone is CN(CC(=O)c1ccccc1Br)CC1CCCN1C.
What is the InChIKey of 1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone?
The InChIKey is DOTQXXPDIIWIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-17(10-12-6-5-9-18(12)2)11-15(19)13-7-3-4-8-14(13)16/h3-4,7-8,12H,5-6,9-11H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone?
1-(2-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-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone is sourced from PubChem (CID 79319708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).