1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one

C15H22BrNO3 — CID 103523080

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one
SMILESCCN(CC)CCC(=O)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C15H22BrNO3/c1-5-17(6-2)10-9-12(18)11-7-8-13(19-3)14(16)15(11)20-4/h7-8H,5-6,9-10H2,1-4H3
InChIKeyKBYDEUFSNANJPK-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.38
Rot. Bonds8

About 1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one

1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one (PubChem CID 103523080) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one
PubChem CID103523080
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one
SMILESCCN(CC)CCC(=O)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C15H22BrNO3/c1-5-17(6-2)10-9-12(18)11-7-8-13(19-3)14(16)15(11)20-4/h7-8H,5-6,9-10H2,1-4H3
InChIKeyKBYDEUFSNANJPK-UHFFFAOYSA-N
XLogP3.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206850
6-amino-1-(3-bromo-2,4-dimethoxyphenyl)-4-methylhexan-1-one
CID 103524296
1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethanone
CID 103524366
1-(3-bromo-2,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-1-one
CID 103524254
3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride
CID 2925638
1-(3-bromo-2,4-dimethoxyphenyl)-2-methoxybutan-1-one
CID 103523128
1-(3-bromo-2,4-dimethoxyphenyl)-2-phenoxyethanone
CID 103523048
1-(3-bromo-2,4-dimethoxyphenyl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 103523078
1-(3-bromo-2,4-dimethoxyphenyl)-4-methoxy-3-methylbutan-1-one
CID 103524399
3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one
CID 117464809
1-(3-bromo-2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206851
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
CID 107977574

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one (CID 103523080) is 1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one is CCN(CC)CCC(=O)c1ccc(OC)c(Br)c1OC.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one?
The InChIKey is KBYDEUFSNANJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-5-17(6-2)10-9-12(18)11-7-8-13(19-3)14(16)15(11)20-4/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one?
1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one has a molecular weight of 344.25 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethoxyphenyl)-3-(diethylamino)propan-1-one is sourced from PubChem (CID 103523080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).