1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one

C16H25NO — CID 158292026

IUPAC1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one
SMILESCCCN(CC)CC(=O)Cc1c(C)cccc1C
InChIInChI=1S/C16H25NO/c1-5-10-17(6-2)12-15(18)11-16-13(3)8-7-9-14(16)4/h7-9H,5-6,10-12H2,1-4H3
InChIKeyGLLVEZTVKOZROM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.15
Rot. Bonds7

About 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one

1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one (PubChem CID 158292026) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one
PubChem CID158292026
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one
SMILESCCCN(CC)CC(=O)Cc1c(C)cccc1C
InChIInChI=1S/C16H25NO/c1-5-10-17(6-2)12-15(18)11-16-13(3)8-7-9-14(16)4/h7-9H,5-6,10-12H2,1-4H3
InChIKeyGLLVEZTVKOZROM-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethyl(propyl)amino]-3-(2-methoxy-6-methylphenyl)propan-2-one
CID 161490214
1-[butyl(ethyl)amino]-3-(2-hydroxy-6-methylphenyl)propan-2-one
CID 159738845
1-(3-bromo-2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one
CID 158899698
1-(2,6-dimethylphenyl)undecan-2-one
CID 115792441
1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]pentan-2-one
CID 157438997
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
1-(2,6-dimethylphenyl)-4-propoxybutan-2-one
CID 105123511
1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one
CID 116553750
3-(2,6-dimethylphenyl)-N,N-diethylpropan-1-amine
CID 3024726
2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 112553556
N-(2-amino-6-methylphenyl)-2-(dipropylamino)acetamide
CID 43375546
1-(2,6-dimethylphenyl)pent-4-en-2-one
CID 116659518

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one (CID 158292026) is 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one is CCCN(CC)CC(=O)Cc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one?
The InChIKey is GLLVEZTVKOZROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-10-17(6-2)12-15(18)11-16-13(3)8-7-9-14(16)4/h7-9H,5-6,10-12H2,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one?
1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one has a molecular weight of 247.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[ethyl(propyl)amino]propan-2-one is sourced from PubChem (CID 158292026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).