2-(dimethylamino)-1-(4-phenylphenyl)ethanone

C16H17NO — CID 768313

IUPAC2-(dimethylamino)-1-(4-phenylphenyl)ethanone
SMILESCN(C)CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-17(2)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyBNFLSPBWCHLHEZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.10
Rot. Bonds4

About 2-(dimethylamino)-1-(4-phenylphenyl)ethanone

2-(dimethylamino)-1-(4-phenylphenyl)ethanone (PubChem CID 768313) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-phenylphenyl)ethanone
PubChem CID768313
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(dimethylamino)-1-(4-phenylphenyl)ethanone
SMILESCN(C)CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-17(2)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyBNFLSPBWCHLHEZ-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-1-(4-phenylphenyl)ethanone;hydrochloride
CID 117066734
CID 162409088
CID 162409088
2-(dipropylamino)-1-(4-phenylphenyl)ethanone
CID 82051052
N,N-dimethyl-4-oxo-4-(4-phenylphenyl)butanamide
CID 154274689
1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride
CID 170896135
N-methyl-N-phenacylacetamide
CID 15482185
1-(4-phenylphenyl)-3-sulfanylpropan-1-one
CID 116830745
2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone
CID 55296835
2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone
CID 170896030
1-(4-phenylphenyl)-2-(tribromo-λ4-tellanyl)ethanone
CID 134926027
ethane;4-phenylbenzoic acid;propane
CID 156791718
2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone
CID 170896073

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(4-phenylphenyl)ethanone (CID 768313) is 2-(dimethylamino)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(4-phenylphenyl)ethanone is CN(C)CC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(dimethylamino)-1-(4-phenylphenyl)ethanone?
The InChIKey is BNFLSPBWCHLHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-17(2)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(4-phenylphenyl)ethanone?
2-(dimethylamino)-1-(4-phenylphenyl)ethanone has a molecular weight of 239.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 768313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).