1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone

C14H21NO2 — CID 43796166

IUPAC1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
SMILESCCC(C)CN(C)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-4-11(2)9-15(3)10-14(17)12-5-7-13(16)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyZWXUYKYXKVVRRU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds6

About 1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone

1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone (PubChem CID 43796166) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
PubChem CID43796166
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
SMILESCCC(C)CN(C)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-4-11(2)9-15(3)10-14(17)12-5-7-13(16)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyZWXUYKYXKVVRRU-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
The IUPAC name of 1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone (CID 43796166) is 1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone is CCC(C)CN(C)CC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
The InChIKey is ZWXUYKYXKVVRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-11(2)9-15(3)10-14(17)12-5-7-13(16)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone?
1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone is sourced from PubChem (CID 43796166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).