2-(diethylamino)-1-phenylpropan-1-one

C13H19NO — CID 7029

💊View drug profile → diethylpropion
IUPAC2-(diethylamino)-1-phenylpropan-1-one
SMILESCCN(CC)C(C)C(=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKeyXXEPPPIWZFICOJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.60
Rot. Bonds5

About 2-(diethylamino)-1-phenylpropan-1-one

2-(diethylamino)-1-phenylpropan-1-one (PubChem CID 7029) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(diethylamino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-1-phenylpropan-1-one
PubChem CID7029
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(diethylamino)-1-phenylpropan-1-one
SMILESCCN(CC)C(C)C(=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
InChIKeyXXEPPPIWZFICOJ-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tolperisone
CID 5511
Melperone
CID 15387
Mephedrone
CID 45266826
Cathinone
CID 62258
Diethylpropion Hydrochloride
CID 91442
Eperisone
CID 3236
Monomethylpropion
CID 1576
Tolperisone Hydrochloride
CID 92965
Metamfepramone
CID 71872
Alpha-Pyrrolidinopentiophenone
CID 11148955
Pyrovalerone
CID 14373
Eperisone Hydrochloride
CID 123698

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-phenylpropan-1-one?
The IUPAC name of 2-(diethylamino)-1-phenylpropan-1-one (CID 7029) is 2-(diethylamino)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(diethylamino)-1-phenylpropan-1-one?
The canonical SMILES for 2-(diethylamino)-1-phenylpropan-1-one is CCN(CC)C(C)C(=O)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-1-phenylpropan-1-one?
The InChIKey is XXEPPPIWZFICOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-phenylpropan-1-one?
2-(diethylamino)-1-phenylpropan-1-one has a molecular weight of 205.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-phenylpropan-1-one is sourced from PubChem (CID 7029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).