1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone

C16H25NO2 — CID 107201105

IUPAC1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)CCCCCO)c(C)c1
InChIInChI=1S/C16H25NO2/c1-13-7-8-15(14(2)11-13)16(19)12-17(3)9-5-4-6-10-18/h7-8,11,18H,4-6,9-10,12H2,1-3H3
InChIKeyOWLUXIATOOTYDS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.58
Rot. Bonds8

About 1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone

1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone (PubChem CID 107201105) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
PubChem CID107201105
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)CCCCCO)c(C)c1
InChIInChI=1S/C16H25NO2/c1-13-7-8-15(14(2)11-13)16(19)12-17(3)9-5-4-6-10-18/h7-8,11,18H,4-6,9-10,12H2,1-3H3
InChIKeyOWLUXIATOOTYDS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 63701271
1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
CID 114237487
1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661926
1-(2,4-dimethylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62031492
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79486033
1-(4-bromophenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201029
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681807
2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 107204065
1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone
CID 63565930

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone (CID 107201105) is 1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone is Cc1ccc(C(=O)CN(C)CCCCCO)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone?
The InChIKey is OWLUXIATOOTYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-7-8-15(14(2)11-13)16(19)12-17(3)9-5-4-6-10-18/h7-8,11,18H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone?
1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]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 1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone is sourced from PubChem (CID 107201105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).