1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone

C14H21NO3 — CID 61429345

IUPAC1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone
SMILESCC(C)CCN(C)CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H21NO3/c1-10(2)6-7-15(3)9-14(18)12-5-4-11(16)8-13(12)17/h4-5,8,10,16-17H,6-7,9H2,1-3H3
InChIKeyWQMFUELZGPUDLO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.26
Rot. Bonds6

About 1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone

1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone (PubChem CID 61429345) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone
PubChem CID61429345
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone
SMILESCC(C)CCN(C)CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C14H21NO3/c1-10(2)6-7-15(3)9-14(18)12-5-4-11(16)8-13(12)17/h4-5,8,10,16-17H,6-7,9H2,1-3H3
InChIKeyWQMFUELZGPUDLO-UHFFFAOYSA-N
XLogP2.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
CID 43219653
1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850569
1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428681
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 62053041
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 60650522
1-(2,4-dihydroxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43232339
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428684
3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one
CID 121004187
2-[methyl(3-methylbutyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 61429349
2-[methyl(3-methylbutyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 61428682
1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone
CID 62036910

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone (CID 61429345) is 1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone is CC(C)CCN(C)CC(=O)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone?
The InChIKey is WQMFUELZGPUDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)6-7-15(3)9-14(18)12-5-4-11(16)8-13(12)17/h4-5,8,10,16-17H,6-7,9H2,1-3H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone?
1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone has a molecular weight of 251.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone is sourced from PubChem (CID 61429345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).