dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride

C17H20ClNO — CID 10979125

IUPACdimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride
SMILESC[NH+](C)CC(C(=O)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C17H19NO.ClH/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;/h3-12,16H,13H2,1-2H3;1H
InChIKeyBLOKTSBTOMCITO-UHFFFAOYSA-N
MW289.81 g/mol
LogP-1.20
Rot. Bonds5

About dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride

dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride (PubChem CID 10979125) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride
PubChem CID10979125
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Namedimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride
SMILESC[NH+](C)CC(C(=O)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C17H19NO.ClH/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;/h3-12,16H,13H2,1-2H3;1H
InChIKeyBLOKTSBTOMCITO-UHFFFAOYSA-N
XLogP-1.20
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium
CID 6947215
1,2-diphenylpentane-1,4-dione
CID 13184730
4,4-dimethyl-1,2-diphenylpentan-1-one
CID 78133328
4-fluoro-1,2-diphenylbutan-1-one
CID 174928566
1,2,5,5-tetraphenylpentane-1,4-dione
CID 134096157
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one
CID 122226240
1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
CID 53347376
dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium
CID 2093668
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471
2-(4-methylphenyl)-1-phenylpentan-1-one
CID 134967757
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141

Frequently Asked Questions

What is the IUPAC name of dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride?
The IUPAC name of dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride (CID 10979125) is dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride.
What is the SMILES notation for dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride?
The canonical SMILES for dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride is C[NH+](C)CC(C(=O)c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride?
The InChIKey is BLOKTSBTOMCITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;/h3-12,16H,13H2,1-2H3;1H.
What are the key properties of dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride?
dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride has a molecular weight of 289.81 g/mol, XLogP of -1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride is sourced from PubChem (CID 10979125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).