4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one

C20H26N2O — CID 58465460

IUPAC4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one
SMILESCN(C)c1cccc(N(C)C)c1CCC(=O)Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-21(2)19-11-8-12-20(22(3)4)18(19)14-13-17(23)15-16-9-6-5-7-10-16/h5-12H,13-15H2,1-4H3
InChIKeyLJSANQZFMLEEFS-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.56
Rot. Bonds7

About 4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one

4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one (PubChem CID 58465460) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one.

Molecular Properties

Compound Name4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one
PubChem CID58465460
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one
SMILESCN(C)c1cccc(N(C)C)c1CCC(=O)Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-21(2)19-11-8-12-20(22(3)4)18(19)14-13-17(23)15-16-9-6-5-7-10-16/h5-12H,13-15H2,1-4H3
InChIKeyLJSANQZFMLEEFS-UHFFFAOYSA-N
XLogP3.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-diphenyl(213C)propan-2-one
CID 100945080
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CID 19899901
1-phenylheptadecan-2-one
CID 12920609
1-phenyldecane-2,9-dione
CID 146832793
4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one
CID 55067851
1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
CID 71035018
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381
methanamine;1-phenylpentan-3-one
CID 167492251
8-oxo-9-phenylnonanoic acid
CID 58119944
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
2-[4-[2-(dimethylamino)phenyl]phenyl]acetic acid
CID 82107346

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one?
The IUPAC name of 4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one (CID 58465460) is 4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one.
What is the SMILES notation for 4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one?
The canonical SMILES for 4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one is CN(C)c1cccc(N(C)C)c1CCC(=O)Cc1ccccc1.
What is the InChIKey of 4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one?
The InChIKey is LJSANQZFMLEEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-21(2)19-11-8-12-20(22(3)4)18(19)14-13-17(23)15-16-9-6-5-7-10-16/h5-12H,13-15H2,1-4H3.
What are the key properties of 4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one?
4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one has a molecular weight of 310.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one is sourced from PubChem (CID 58465460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).