2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone

C15H23NO2 — CID 62052086

IUPAC2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
SMILESCCCCN(CCO)CC(=O)c1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-3-4-8-16(9-10-17)12-15(18)14-7-5-6-13(2)11-14/h5-7,11,17H,3-4,8-10,12H2,1-2H3
InChIKeyFKHKHMRICKWBOU-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.27
Rot. Bonds8

About 2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone

2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone (PubChem CID 62052086) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
PubChem CID62052086
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
SMILESCCCCN(CCO)CC(=O)c1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-3-4-8-16(9-10-17)12-15(18)14-7-5-6-13(2)11-14/h5-7,11,17H,3-4,8-10,12H2,1-2H3
InChIKeyFKHKHMRICKWBOU-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 62051512
2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone
CID 55005484
2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanone
CID 62052225
2-(dibutylamino)-1-(4-methylphenyl)ethanone
CID 43219615
2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
CID 62050940
1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone
CID 82071639
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone
CID 62030544
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62030145
2-[butyl(2-hydroxyethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 61444799
1-(3-methylphenyl)butan-1-one
CID 4304992
N-[2-[butyl(2-hydroxyethyl)amino]acetyl]benzamide
CID 60689022
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone (CID 62052086) is 2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone is CCCCN(CCO)CC(=O)c1cccc(C)c1.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone?
The InChIKey is FKHKHMRICKWBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-4-8-16(9-10-17)12-15(18)14-7-5-6-13(2)11-14/h5-7,11,17H,3-4,8-10,12H2,1-2H3.
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone?
2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone has a molecular weight of 249.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 62052086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).