2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one

C19H23NO — CID 79057003

IUPAC2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one
SMILESCCC(C)(C(=O)c1ccc(-c2ccccc2)cc1)N(C)C
InChIInChI=1S/C19H23NO/c1-5-19(2,20(3)4)18(21)17-13-11-16(12-14-17)15-9-7-6-8-10-15/h6-14H,5H2,1-4H3
InChIKeyHVRCNGOITTYRPV-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.27
Rot. Bonds5

About 2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one

2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one (PubChem CID 79057003) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one
PubChem CID79057003
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one
SMILESCCC(C)(C(=O)c1ccc(-c2ccccc2)cc1)N(C)C
InChIInChI=1S/C19H23NO/c1-5-19(2,20(3)4)18(21)17-13-11-16(12-14-17)15-9-7-6-8-10-15/h6-14H,5H2,1-4H3
InChIKeyHVRCNGOITTYRPV-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-methyl-1-(4-phenylphenyl)butan-1-one
CID 116610814
3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
CID 19049443
ethane;4-phenylbenzoic acid;propane
CID 156791718
3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
CID 19049591
2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
CID 79050965
2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one
CID 79064147
2-(dimethylamino)-1-(4-phenylphenyl)ethanone
CID 768313
2-[bis(2-hydroxyethenyl)amino]-2-methyl-1-(4-phenylphenyl)propan-1-one
CID 175705422
2-(dimethylamino)-1-(4-phenylphenyl)ethanone;hydrochloride
CID 117066734
CID 162409088
CID 162409088
2-methoxy-2-methyl-1-phenylbutan-1-one
CID 10261995
2-ethyl-2-[ethyl-(4-phenylbenzoyl)amino]propanedioic acid
CID 118292572

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one?
The IUPAC name of 2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one (CID 79057003) is 2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one is CCC(C)(C(=O)c1ccc(-c2ccccc2)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one?
The InChIKey is HVRCNGOITTYRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-5-19(2,20(3)4)18(21)17-13-11-16(12-14-17)15-9-7-6-8-10-15/h6-14H,5H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one?
2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one is sourced from PubChem (CID 79057003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).