2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone

C16H18BrNOS — CID 62036144

IUPAC2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN(C)Cc2ccccc2Br)s1
InChIInChI=1S/C16H18BrNOS/c1-3-13-8-9-16(20-13)15(19)11-18(2)10-12-6-4-5-7-14(12)17/h4-9H,3,10-11H2,1-2H3
InChIKeyFTMMPOAUBJQRSD-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.39
Rot. Bonds6

About 2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone

2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 62036144) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID62036144
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN(C)Cc2ccccc2Br)s1
InChIInChI=1S/C16H18BrNOS/c1-3-13-8-9-16(20-13)15(19)11-18(2)10-12-6-4-5-7-14(12)17/h4-9H,3,10-11H2,1-2H3
InChIKeyFTMMPOAUBJQRSD-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 62036953
2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 55225801
1-(5-ethylthiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485722
1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228072
2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone
CID 64642580
2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62860809
1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950449
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999645
4-[(2-bromophenyl)methyl-methylamino]-3-methylbut-2-enoic acid
CID 77006236
N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 17172870
1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone
CID 60650724

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone (CID 62036144) is 2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CN(C)Cc2ccccc2Br)s1.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is FTMMPOAUBJQRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-3-13-8-9-16(20-13)15(19)11-18(2)10-12-6-4-5-7-14(12)17/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone?
2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 352.30 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 62036144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).