1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone

C17H27BrN2O — CID 102995150

IUPAC1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone
SMILESCCN(CC)CCCN(CC)CC(=O)c1ccccc1Br
InChIInChI=1S/C17H27BrN2O/c1-4-19(5-2)12-9-13-20(6-3)14-17(21)15-10-7-8-11-16(15)18/h7-8,10-11H,4-6,9,12-14H2,1-3H3
InChIKeyIUYJFUMUSUGWPA-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.69
Rot. Bonds10

About 1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone

1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone (PubChem CID 102995150) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone
PubChem CID102995150
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone
SMILESCCN(CC)CCCN(CC)CC(=O)c1ccccc1Br
InChIInChI=1S/C17H27BrN2O/c1-4-19(5-2)12-9-13-20(6-3)14-17(21)15-10-7-8-11-16(15)18/h7-8,10-11H,4-6,9,12-14H2,1-3H3
InChIKeyIUYJFUMUSUGWPA-UHFFFAOYSA-N
XLogP3.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
CID 102995129
1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone
CID 79390464
1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 63954800
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43219892
3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide
CID 102993518
2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide
CID 62035769
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
1-(2-bromophenyl)-2-[2-ethoxyethyl(methyl)amino]ethanone
CID 81057820
1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65488762
2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 102995140
1-(2-bromophenyl)-2-octoxyethanone
CID 43800732
1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one
CID 62629189

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone (CID 102995150) is 1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone is CCN(CC)CCCN(CC)CC(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone?
The InChIKey is IUYJFUMUSUGWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-4-19(5-2)12-9-13-20(6-3)14-17(21)15-10-7-8-11-16(15)18/h7-8,10-11H,4-6,9,12-14H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone?
1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone has a molecular weight of 355.32 g/mol, XLogP of 3.69, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone is sourced from PubChem (CID 102995150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).