2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone

C16H18BrNOS — CID 62030555

IUPAC2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)CN(C)Cc2ccc(Br)cc2)c(C)s1
InChIInChI=1S/C16H18BrNOS/c1-11-8-15(12(2)20-11)16(19)10-18(3)9-13-4-6-14(17)7-5-13/h4-8H,9-10H2,1-3H3
InChIKeyQWUQULQDQHURTA-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.44
Rot. Bonds5

About 2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone

2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 62030555) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID62030555
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)CN(C)Cc2ccc(Br)cc2)c(C)s1
InChIInChI=1S/C16H18BrNOS/c1-11-8-15(12(2)20-11)16(19)10-18(3)9-13-4-6-14(17)7-5-13/h4-8H,9-10H2,1-3H3
InChIKeyQWUQULQDQHURTA-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 62052898
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62050646
3-[[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983079
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(2-methylpropyl)amino]ethanone
CID 43795704
2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681026
2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62030742
1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051949
methyl 5-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18082890
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
CID 43796779
1-(azepan-1-yl)-2-[(4-bromophenyl)methyl-methylamino]ethanone
CID 78791393
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2,4-dichlorophenyl)ethanone
CID 63566489
2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 8539857

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone (CID 62030555) is 2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone is Cc1cc(C(=O)CN(C)Cc2ccc(Br)cc2)c(C)s1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is QWUQULQDQHURTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-11-8-15(12(2)20-11)16(19)10-18(3)9-13-4-6-14(17)7-5-13/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone?
2-[(4-bromophenyl)methyl-methylamino]-1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 352.30 g/mol, XLogP of 4.44, 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-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 62030555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).