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

C16H24BrNO3 — CID 62629189

IUPAC1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one
SMILESCOCCCN(CCOC)CCC(=O)c1ccccc1Br
InChIInChI=1S/C16H24BrNO3/c1-20-12-5-9-18(11-13-21-2)10-8-16(19)14-6-3-4-7-15(14)17/h3-4,6-7H,5,8-13H2,1-2H3
InChIKeyITLPFAZMFLWUHL-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.01
Rot. Bonds11

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

1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one (PubChem CID 62629189) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one
PubChem CID62629189
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one
SMILESCOCCCN(CCOC)CCC(=O)c1ccccc1Br
InChIInChI=1S/C16H24BrNO3/c1-20-12-5-9-18(11-13-21-2)10-8-16(19)14-6-3-4-7-15(14)17/h3-4,6-7H,5,8-13H2,1-2H3
InChIKeyITLPFAZMFLWUHL-UHFFFAOYSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one
CID 62630046
3-(dipropylamino)propyl 2-bromobenzoate;hydrochloride
CID 163330081
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513
1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone
CID 102995150
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
5-[2-methoxyethyl(3-methoxypropyl)amino]pentanoic acid
CID 55137663
3-[2-methoxyethyl(3-methoxypropyl)amino]propanehydrazide
CID 63582905
1-(2-bromophenyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one
CID 62630201

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one?
The IUPAC name of 1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one (CID 62629189) is 1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one is COCCCN(CCOC)CCC(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one?
The InChIKey is ITLPFAZMFLWUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-20-12-5-9-18(11-13-21-2)10-8-16(19)14-6-3-4-7-15(14)17/h3-4,6-7H,5,8-13H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one?
1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one has a molecular weight of 358.28 g/mol, XLogP of 3.01, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-1-one is sourced from PubChem (CID 62629189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).