3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one

C15H22BrNO3 — CID 62630046

IUPAC3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one
SMILESCOCCN(CCOC)CCC(=O)c1ccccc1Br
InChIInChI=1S/C15H22BrNO3/c1-19-11-9-17(10-12-20-2)8-7-15(18)13-5-3-4-6-14(13)16/h3-6H,7-12H2,1-2H3
InChIKeyGTUPXKPXOIWSFM-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.62
Rot. Bonds10

About 3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one

3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one (PubChem CID 62630046) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one
PubChem CID62630046
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one
SMILESCOCCN(CCOC)CCC(=O)c1ccccc1Br
InChIInChI=1S/C15H22BrNO3/c1-19-11-9-17(10-12-20-2)8-7-15(18)13-5-3-4-6-14(13)16/h3-6H,7-12H2,1-2H3
InChIKeyGTUPXKPXOIWSFM-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one
CID 62629189
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54945937
3-amino-1-(2-bromophenyl)-5-methoxypentan-1-one
CID 103967309
1-(2-bromophenyl)-3-[methyl(2-methylsulfonylethyl)amino]propan-1-one
CID 79859021
1-(2-bromophenyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one
CID 62630201
3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
CID 62612759
(2-bromophenyl)-dimethoxyphosphorylmethanone
CID 639026
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide
CID 63285065

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one (CID 62630046) is 3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one is COCCN(CCOC)CCC(=O)c1ccccc1Br.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one?
The InChIKey is GTUPXKPXOIWSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-19-11-9-17(10-12-20-2)8-7-15(18)13-5-3-4-6-14(13)16/h3-6H,7-12H2,1-2H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one?
3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one has a molecular weight of 344.25 g/mol, XLogP of 2.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one is sourced from PubChem (CID 62630046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).