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

C13H19NO3 — CID 43219653

IUPAC2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
SMILESCCCCN(C)CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C13H19NO3/c1-3-4-7-14(2)9-13(17)11-6-5-10(15)8-12(11)16/h5-6,8,15-16H,3-4,7,9H2,1-2H3
InChIKeyKTIGHFLGXWEVEN-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.01
Rot. Bonds6

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

2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone (PubChem CID 43219653) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
PubChem CID43219653
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
SMILESCCCCN(C)CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C13H19NO3/c1-3-4-7-14(2)9-13(17)11-6-5-10(15)8-12(11)16/h5-6,8,15-16H,3-4,7,9H2,1-2H3
InChIKeyKTIGHFLGXWEVEN-UHFFFAOYSA-N
XLogP2.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429345
1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850569
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
3-(diethylamino)-1-(2,4-dihydroxyphenyl)propan-1-one
CID 121004187
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-hydroxyethanone
CID 11715230
1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795614
2-[cyclobutylmethyl(ethyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
CID 107399788
(E)-1-(2,4-dihydroxyphenyl)-3-ethenyl-4-methyloct-3-en-1-one
CID 144809326
1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one
CID 130033868
1-amino-3-[(2,4-dihydroxybenzoyl)amino]-1-octylurea
CID 67644607

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone (CID 43219653) is 2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone is CCCCN(C)CC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone?
The InChIKey is KTIGHFLGXWEVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-4-7-14(2)9-13(17)11-6-5-10(15)8-12(11)16/h5-6,8,15-16H,3-4,7,9H2,1-2H3.
What are the key properties of 2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone?
2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 43219653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).