2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone

C15H17BrN2O — CID 62030742

IUPAC2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCN(CC(=O)c1ccn(C)c1)Cc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-17-8-7-13(10-17)15(19)11-18(2)9-12-3-5-14(16)6-4-12/h3-8,10H,9,11H2,1-2H3
InChIKeyUSXYXOTYHDBPRV-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.10
Rot. Bonds5

About 2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone

2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 62030742) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID62030742
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCN(CC(=O)c1ccn(C)c1)Cc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-17-8-7-13(10-17)15(19)11-18(2)9-12-3-5-14(16)6-4-12/h3-8,10H,9,11H2,1-2H3
InChIKeyUSXYXOTYHDBPRV-UHFFFAOYSA-N
XLogP3.10
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 43795621
2-[methyl(3-methylbutyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 61428682
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 60681661
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 63866776
1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051949
2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 62030555
1-(azepan-1-yl)-2-[(4-bromophenyl)methyl-methylamino]ethanone
CID 78791393
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62052291
1-(3-bromophenyl)-2-[(4-chlorophenyl)methyl-methylamino]ethanone
CID 62037578
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 79319089
N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide
CID 2698674
2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63567910

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone (CID 62030742) is 2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone is CN(CC(=O)c1ccn(C)c1)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is USXYXOTYHDBPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-17-8-7-13(10-17)15(19)11-18(2)9-12-3-5-14(16)6-4-12/h3-8,10H,9,11H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone?
2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 321.22 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 62030742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).