1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone

C14H20BrNO2 — CID 79390464

IUPAC1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone
SMILESCCN(CC(=O)c1ccccc1Br)CC(C)(C)O
InChIInChI=1S/C14H20BrNO2/c1-4-16(10-14(2,3)18)9-13(17)11-7-5-6-8-12(11)15/h5-8,18H,4,9-10H2,1-3H3
InChIKeyADPODMBFIMAOPK-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.72
Rot. Bonds6

About 1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone

1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone (PubChem CID 79390464) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone
PubChem CID79390464
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone
SMILESCCN(CC(=O)c1ccccc1Br)CC(C)(C)O
InChIInChI=1S/C14H20BrNO2/c1-4-16(10-14(2,3)18)9-13(17)11-7-5-6-8-12(11)15/h5-8,18H,4,9-10H2,1-3H3
InChIKeyADPODMBFIMAOPK-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone
CID 102995150
1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 63954800
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-one
CID 79379927
1-(2,5-dimethylthiophen-3-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone
CID 79390558
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
1-(2-bromophenyl)-3,3-dimethylbutan-1-one
CID 71135058
2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide
CID 62035769
1-(2-bromophenyl)-4,4-dimethylpentane-1,3-dione
CID 28896266
1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800571
N-(4-bromo-3-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962132
N-(2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962251
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone (CID 79390464) is 1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone is CCN(CC(=O)c1ccccc1Br)CC(C)(C)O.
What is the InChIKey of 1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone?
The InChIKey is ADPODMBFIMAOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-4-16(10-14(2,3)18)9-13(17)11-7-5-6-8-12(11)15/h5-8,18H,4,9-10H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone?
1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone has a molecular weight of 314.22 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone is sourced from PubChem (CID 79390464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).