3-(diethylamino)-1-phenylpropan-1-one;hydrochloride

C13H20ClNO — CID 13496280

IUPAC3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
SMILESCCN(CC)CCC(=O)c1ccccc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-3-14(4-2)11-10-13(15)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3;1H
InChIKeyOWSVBXOIOHPZIZ-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.02
Rot. Bonds6

About 3-(diethylamino)-1-phenylpropan-1-one;hydrochloride

3-(diethylamino)-1-phenylpropan-1-one;hydrochloride (PubChem CID 13496280) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 3-(diethylamino)-1-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
PubChem CID13496280
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
SMILESCCN(CC)CCC(=O)c1ccccc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-3-14(4-2)11-10-13(15)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3;1H
InChIKeyOWSVBXOIOHPZIZ-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
1-phenylbutan-1-one
CID 10315
ethane;1-phenylpentan-1-one
CID 143728184
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
N,N-diethyl-4-oxo-4-phenylbutanamide
CID 10399096
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-(diethylamino)-1-phenylpropan-1-one;hydrochloride (CID 13496280) is 3-(diethylamino)-1-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(diethylamino)-1-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(diethylamino)-1-phenylpropan-1-one;hydrochloride is CCN(CC)CCC(=O)c1ccccc1.Cl.
What is the InChIKey of 3-(diethylamino)-1-phenylpropan-1-one;hydrochloride?
The InChIKey is OWSVBXOIOHPZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-3-14(4-2)11-10-13(15)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3;1H.
What are the key properties of 3-(diethylamino)-1-phenylpropan-1-one;hydrochloride?
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 13496280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).