2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one

C18H21NO — CID 63195859

IUPAC2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one
SMILESCN(CC(C)(C)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-18(2,17(20)15-10-6-4-7-11-15)14-19(3)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyNPCXCXHIDJDUOK-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.03
Rot. Bonds5

About 2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one

2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one (PubChem CID 63195859) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one
PubChem CID63195859
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one
SMILESCN(CC(C)(C)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-18(2,17(20)15-10-6-4-7-11-15)14-19(3)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyNPCXCXHIDJDUOK-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-one
CID 63193414
3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one
CID 63193607
2,2-dimethyl-3-(N-methylanilino)propanoyl chloride
CID 82041011
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
CID 21116615
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193750
2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one
CID 63482293
3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 20547331
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
3-[ethyl(1-methoxypropan-2-yl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193751
3-(4-amino-N-methylanilino)-2,2-dimethylpropanoic acid
CID 79623810
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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one?
The IUPAC name of 2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one (CID 63195859) is 2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one is CN(CC(C)(C)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one?
The InChIKey is NPCXCXHIDJDUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2,17(20)15-10-6-4-7-11-15)14-19(3)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one?
2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one has a molecular weight of 267.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one is sourced from PubChem (CID 63195859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).