1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone

C22H29BrN2O2 — CID 110826095

IUPAC1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone
SMILESCCN(CC)C(CNCC(=O)c1ccc(OC)c(Br)c1)c1ccc(C)cc1
InChIInChI=1S/C22H29BrN2O2/c1-5-25(6-2)20(17-9-7-16(3)8-10-17)14-24-15-21(26)18-11-12-22(27-4)19(23)13-18/h7-13,20,24H,5-6,14-15H2,1-4H3
InChIKeySFFKJYZZWMIXKW-UHFFFAOYSA-N
MW433.39 g/mol
LogP4.62
Rot. Bonds10

About 1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone

1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone (PubChem CID 110826095) has the molecular formula C22H29BrN2O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone
PubChem CID110826095
Molecular FormulaC22H29BrN2O2
Molecular Weight433.39 g/mol
Exact Mass432.14
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone
SMILESCCN(CC)C(CNCC(=O)c1ccc(OC)c(Br)c1)c1ccc(C)cc1
InChIInChI=1S/C22H29BrN2O2/c1-5-25(6-2)20(17-9-7-16(3)8-10-17)14-24-15-21(26)18-11-12-22(27-4)19(23)13-18/h7-13,20,24H,5-6,14-15H2,1-4H3
InChIKeySFFKJYZZWMIXKW-UHFFFAOYSA-N
XLogP4.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
CID 110830006
1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone
CID 110827671
ethyl 3-(3-bromo-4-methoxyphenyl)-3-(diethylamino)propanoate
CID 64540731
2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830523
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63490270
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161769
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
1-(3-bromo-4-methoxyphenyl)pentan-1-one
CID 43161744
1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone
CID 110825842

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone (CID 110826095) is 1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone is CCN(CC)C(CNCC(=O)c1ccc(OC)c(Br)c1)c1ccc(C)cc1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone?
The InChIKey is SFFKJYZZWMIXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BrN2O2/c1-5-25(6-2)20(17-9-7-16(3)8-10-17)14-24-15-21(26)18-11-12-22(27-4)19(23)13-18/h7-13,20,24H,5-6,14-15H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone?
1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone has a molecular weight of 433.39 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-[[2-(diethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone is sourced from PubChem (CID 110826095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).