2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one

C17H28N2O2 — CID 143086389

IUPAC2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one
SMILESCCC(CC)(C(=O)c1ccc(N(C)CCO)cc1)N(C)C
InChIInChI=1S/C17H28N2O2/c1-6-17(7-2,18(3)4)16(21)14-8-10-15(11-9-14)19(5)12-13-20/h8-11,20H,6-7,12-13H2,1-5H3
InChIKeyYFLULWDNBCIBHO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.42
Rot. Bonds8

About 2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one

2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one (PubChem CID 143086389) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one
PubChem CID143086389
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one
SMILESCCC(CC)(C(=O)c1ccc(N(C)CCO)cc1)N(C)C
InChIInChI=1S/C17H28N2O2/c1-6-17(7-2,18(3)4)16(21)14-8-10-15(11-9-14)19(5)12-13-20/h8-11,20H,6-7,12-13H2,1-5H3
InChIKeyYFLULWDNBCIBHO-UHFFFAOYSA-N
XLogP2.42
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-2-(dimethylamino)-1-[4-[2-ethoxyethyl(methyl)amino]phenyl]butan-1-one
CID 139417323
ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
CID 10242689
1-(3-chloro-4-methylphenyl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 107559878
2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 79061219
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
2-benzyl-2-(dimethylamino)-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;methane
CID 158870745
1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69093819
2-(4-ethylsulfanyl-N-methylanilino)ethanol
CID 115216147
[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 77094453
[4-(dimethylamino)azepan-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 77086648
4-[3-(dimethylamino)propyl-methylamino]benzoic acid
CID 63695251
(E)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-methylprop-2-enoic acid
CID 170873192

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one?
The IUPAC name of 2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one (CID 143086389) is 2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one is CCC(CC)(C(=O)c1ccc(N(C)CCO)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one?
The InChIKey is YFLULWDNBCIBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-17(7-2,18(3)4)16(21)14-8-10-15(11-9-14)19(5)12-13-20/h8-11,20H,6-7,12-13H2,1-5H3.
What are the key properties of 2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one?
2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one has a molecular weight of 292.42 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-ethyl-1-[4-[2-hydroxyethyl(methyl)amino]phenyl]butan-1-one is sourced from PubChem (CID 143086389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).