2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone

C15H16BrNOS — CID 62052681

IUPAC2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(C)Cc2cc(Br)cs2)cc1
InChIInChI=1S/C15H16BrNOS/c1-11-3-5-12(6-4-11)15(18)9-17(2)8-14-7-13(16)10-19-14/h3-7,10H,8-9H2,1-2H3
InChIKeyJQOFOADLBSXUJB-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.13
Rot. Bonds5

About 2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone

2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone (PubChem CID 62052681) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone
PubChem CID62052681
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(C)Cc2cc(Br)cs2)cc1
InChIInChI=1S/C15H16BrNOS/c1-11-3-5-12(6-4-11)15(18)9-17(2)8-14-7-13(16)10-19-14/h3-7,10H,8-9H2,1-2H3
InChIKeyJQOFOADLBSXUJB-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63566486
1-(4-bromophenyl)-3-[(4-bromothiophen-2-yl)methyl-methylamino]propan-1-one
CID 63482092
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone
CID 62053047
1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62051999
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(1-methylpyrrol-2-yl)ethanone
CID 60968344
1-[4-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 114065802
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-3-methylbenzoic acid
CID 114485449
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-methylphenyl)propan-1-one
CID 62629185
1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051949
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
3-[methyl-[2-(4-methylphenyl)-2-oxoethyl]amino]propanoic acid
CID 82136245

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone (CID 62052681) is 2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CN(C)Cc2cc(Br)cs2)cc1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone?
The InChIKey is JQOFOADLBSXUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-11-3-5-12(6-4-11)15(18)9-17(2)8-14-7-13(16)10-19-14/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone?
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone has a molecular weight of 338.27 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 62052681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).