2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone

C16H25NO2 — CID 62051512

IUPAC2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
SMILESCCCCN(CCO)CC(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H25NO2/c1-4-5-8-17(9-10-18)12-16(19)15-11-13(2)6-7-14(15)3/h6-7,11,18H,4-5,8-10,12H2,1-3H3
InChIKeyVXXNSGIGNOROMJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.58
Rot. Bonds8

About 2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone

2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone (PubChem CID 62051512) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
PubChem CID62051512
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
SMILESCCCCN(CCO)CC(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H25NO2/c1-4-5-8-17(9-10-18)12-16(19)15-11-13(2)6-7-14(15)3/h6-7,11,18H,4-5,8-10,12H2,1-3H3
InChIKeyVXXNSGIGNOROMJ-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)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(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62052086
2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62051328
2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62050932
2-(dibutylamino)-1-(4-methylphenyl)ethanone
CID 43219615
1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 63565743
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone
CID 79476690
1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796904
2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 43795464
2-[butyl(2-hydroxyethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 60689165
2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
CID 43219591
2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-methylamino]acetic acid
CID 82476152

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone (CID 62051512) is 2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone is CCCCN(CCO)CC(=O)c1cc(C)ccc1C.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone?
The InChIKey is VXXNSGIGNOROMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-8-17(9-10-18)12-16(19)15-11-13(2)6-7-14(15)3/h6-7,11,18H,4-5,8-10,12H2,1-3H3.
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone?
2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 2.58, 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-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 62051512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).