3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride

C13H20ClNO — CID 21116615

IUPAC3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
SMILESCN(C)CC(C)(C)C(=O)c1ccccc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-13(2,10-14(3)4)12(15)11-8-6-5-7-9-11;/h5-9H,10H2,1-4H3;1H
InChIKeyQOMQKUOQGKQICL-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.88
Rot. Bonds4

About 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride

3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride (PubChem CID 21116615) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
PubChem CID21116615
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
SMILESCN(C)CC(C)(C)C(=O)c1ccccc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-13(2,10-14(3)4)12(15)11-8-6-5-7-9-11;/h5-9H,10H2,1-4H3;1H
InChIKeyQOMQKUOQGKQICL-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one
CID 63195859
3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 20547331
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193750
3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one
CID 20547322
3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-one
CID 63193414
2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one
CID 63482293
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one
CID 63193607
2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one
CID 63196149
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193847
benzoic acid;1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol;dihydrate;hydrochloride
CID 20833886
3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193751

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride (CID 21116615) is 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride is CN(C)CC(C)(C)C(=O)c1ccccc1.Cl.
What is the InChIKey of 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride?
The InChIKey is QOMQKUOQGKQICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-13(2,10-14(3)4)12(15)11-8-6-5-7-9-11;/h5-9H,10H2,1-4H3;1H.
What are the key properties of 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride?
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 21116615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).