1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one

C12H16BrNO — CID 115235229

IUPAC1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one
SMILESCC(=O)CN(C)CCc1ccccc1Br
InChIInChI=1S/C12H16BrNO/c1-10(15)9-14(2)8-7-11-5-3-4-6-12(11)13/h3-6H,7-9H2,1-2H3
InChIKeySUTIDEBNCXKTMA-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.51
Rot. Bonds5

About 1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one

1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one (PubChem CID 115235229) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one
PubChem CID115235229
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one
SMILESCC(=O)CN(C)CCc1ccccc1Br
InChIInChI=1S/C12H16BrNO/c1-10(15)9-14(2)8-7-11-5-3-4-6-12(11)13/h3-6H,7-9H2,1-2H3
InChIKeySUTIDEBNCXKTMA-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-bromophenyl)methyl-methylamino]pentan-2-one
CID 62035947
3-[2-(2-bromophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042497
N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115206136
2-[2-(2-bromophenyl)ethyl-methylcarbamoyl]butanoic acid
CID 115186104
N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115207157
(E)-4-[2-(2-bromophenyl)ethyl-methylamino]-4-oxobut-2-enoic acid
CID 115177335
N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
CID 117044248
N-[(2-bromophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide
CID 111488423
2-(2-bromophenyl)ethyl-(2-ethoxyethyl)carbamic acid
CID 68730463
3-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987110
1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65488762
N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252622

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one?
The IUPAC name of 1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one (CID 115235229) is 1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one?
The canonical SMILES for 1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one is CC(=O)CN(C)CCc1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one?
The InChIKey is SUTIDEBNCXKTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-10(15)9-14(2)8-7-11-5-3-4-6-12(11)13/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one?
1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one has a molecular weight of 270.17 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one is sourced from PubChem (CID 115235229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).