1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one

C16H25NO — CID 142462169

IUPAC1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one
SMILESCCC(=O)c1cc(CN(CC)CC)ccc1CC
InChIInChI=1S/C16H25NO/c1-5-14-10-9-13(12-17(7-3)8-4)11-15(14)16(18)6-2/h9-11H,5-8,12H2,1-4H3
InChIKeyPEIFCBIYCQIZNO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.68
Rot. Bonds7

About 1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one

1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one (PubChem CID 142462169) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one
PubChem CID142462169
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one
SMILESCCC(=O)c1cc(CN(CC)CC)ccc1CC
InChIInChI=1S/C16H25NO/c1-5-14-10-9-13(12-17(7-3)8-4)11-15(14)16(18)6-2/h9-11H,5-8,12H2,1-4H3
InChIKeyPEIFCBIYCQIZNO-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one?
The IUPAC name of 1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one (CID 142462169) is 1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one.
What is the SMILES notation for 1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one?
The canonical SMILES for 1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one is CCC(=O)c1cc(CN(CC)CC)ccc1CC.
What is the InChIKey of 1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one?
The InChIKey is PEIFCBIYCQIZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-14-10-9-13(12-17(7-3)8-4)11-15(14)16(18)6-2/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one?
1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one has a molecular weight of 247.38 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylaminomethyl)-2-ethylphenyl]propan-1-one is sourced from PubChem (CID 142462169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).