1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one

C12H16BrNO2 — CID 116562652

IUPAC1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one
SMILESCCNCC(=O)Cc1cc(OC)ccc1Br
InChIInChI=1S/C12H16BrNO2/c1-3-14-8-10(15)6-9-7-11(16-2)4-5-12(9)13/h4-5,7,14H,3,6,8H2,1-2H3
InChIKeyOTLQMPSYFKBKMU-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.18
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one

1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one (PubChem CID 116562652) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one
PubChem CID116562652
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one
SMILESCCNCC(=O)Cc1cc(OC)ccc1Br
InChIInChI=1S/C12H16BrNO2/c1-3-14-8-10(15)6-9-7-11(16-2)4-5-12(9)13/h4-5,7,14H,3,6,8H2,1-2H3
InChIKeyOTLQMPSYFKBKMU-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
1-(2-bromophenyl)-3-(ethylamino)propan-2-one
CID 116562504
5-amino-1-(2-bromo-5-methoxyphenyl)-4-methylpentan-2-one
CID 116596709
1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 65328007
1-(2-bromo-5-methoxyphenyl)-5-methoxyhexan-2-one
CID 105102302
O-methyl 2-(2-bromo-5-methoxyphenyl)ethanethioate
CID 146285646
1-(2-bromo-5-methoxyphenyl)heptan-4-one
CID 65325757
1-(2-bromo-5-methoxyphenyl)octan-4-one
CID 11255432
1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one
CID 65327335
2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-one
CID 66145597

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one (CID 116562652) is 1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one is CCNCC(=O)Cc1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one?
The InChIKey is OTLQMPSYFKBKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-14-8-10(15)6-9-7-11(16-2)4-5-12(9)13/h4-5,7,14H,3,6,8H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one?
1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one has a molecular weight of 286.17 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one is sourced from PubChem (CID 116562652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).