1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one

C18H21NO — CID 105093194

IUPAC1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one
SMILESCN(C)c1cccc(C(=O)CCCc2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-19(2)17-12-7-11-16(14-17)18(20)13-6-10-15-8-4-3-5-9-15/h3-5,7-9,11-12,14H,6,10,13H2,1-2H3
InChIKeyXBUGNEILBDCGDB-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.96
Rot. Bonds6

About 1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one

1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one (PubChem CID 105093194) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one
PubChem CID105093194
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one
SMILESCN(C)c1cccc(C(=O)CCCc2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-19(2)17-12-7-11-16(14-17)18(20)13-6-10-15-8-4-3-5-9-15/h3-5,7-9,11-12,14H,6,10,13H2,1-2H3
InChIKeyXBUGNEILBDCGDB-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
1-[3-(dimethylamino)phenyl]butan-1-one
CID 67236885
2-phenylethyl 3-(dimethylamino)benzoate
CID 68590788
4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid
CID 15491493
ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate
CID 24727630
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743
2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105078998
[2-[3-(dimethylamino)phenyl]-2-oxoethyl]-dimethylsulfanium
CID 20792439
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one
CID 105134475

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one (CID 105093194) is 1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one is CN(C)c1cccc(C(=O)CCCc2ccccc2)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one?
The InChIKey is XBUGNEILBDCGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-19(2)17-12-7-11-16(14-17)18(20)13-6-10-15-8-4-3-5-9-15/h3-5,7-9,11-12,14H,6,10,13H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one?
1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one has a molecular weight of 267.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one is sourced from PubChem (CID 105093194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).