1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one

C19H23NO — CID 19043759

IUPAC1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(-c2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C19H23NO/c1-4-5-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-20(2)3/h6-13H,4-5,14H2,1-3H3
InChIKeyRAJATZVLOUBHNG-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.40
Rot. Bonds6

About 1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one

1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one (PubChem CID 19043759) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one.

Molecular Properties

Compound Name1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one
PubChem CID19043759
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(-c2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C19H23NO/c1-4-5-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-20(2)3/h6-13H,4-5,14H2,1-3H3
InChIKeyRAJATZVLOUBHNG-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride
CID 67853322
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
1-[4-(4-propylphenyl)phenyl]pentan-1-one
CID 142331606
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
3-methylsulfanyl-1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 146007939
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
methyl (E)-3-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]but-2-enoate
CID 110447306
[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl acetate
CID 70808950
N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 78810655
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one
CID 3951967

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one?
The IUPAC name of 1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one (CID 19043759) is 1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one.
What is the SMILES notation for 1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one?
The canonical SMILES for 1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one is CCCC(=O)c1ccc(-c2ccc(CN(C)C)cc2)cc1.
What is the InChIKey of 1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one?
The InChIKey is RAJATZVLOUBHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-5-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-20(2)3/h6-13H,4-5,14H2,1-3H3.
What are the key properties of 1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one?
1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one is sourced from PubChem (CID 19043759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).