[2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene

C24H27NO — CID 175307989

IUPAC[2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene
SMILESCN(C)c1ccccc1C(=O)c1ccccc1.Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H15NO.C9H12/c1-16(2)14-11-7-6-10-13(14)15(17)12-8-4-3-5-9-12;1-7-4-8(2)6-9(3)5-7/h3-11H,1-2H3;4-6H,1-3H3
InChIKeyKGJHKFLXGHBVPB-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.60
Rot. Bonds3

About [2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene

[2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene (PubChem CID 175307989) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is [2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene.

Molecular Properties

Compound Name[2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene
PubChem CID175307989
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name[2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene
SMILESCN(C)c1ccccc1C(=O)c1ccccc1.Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H15NO.C9H12/c1-16(2)14-11-7-6-10-13(14)15(17)12-8-4-3-5-9-12;1-7-4-8(2)6-9(3)5-7/h3-11H,1-2H3;4-6H,1-3H3
InChIKeyKGJHKFLXGHBVPB-UHFFFAOYSA-N
XLogP5.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-acetyl-N-(2-benzoylphenyl)acetamide
CID 23206661
N-(2-benzoylphenyl)-N-methylmethanesulfonamide
CID 11130003
2-(dimethylamino)benzoic acid;ethene
CID 157119009
2-(3,5-dimethylbenzoyl)benzoate
CID 4526891
[2-(dimethylamino)phenyl]-(2-fluorophenyl)methanone
CID 71536300
[3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane
CID 91033901
[2-(dimethylamino)phenyl]-[4-[dimethyl(trimethylsilyloxy)silyl]phenyl]methanone
CID 21417840
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
(2,5-dimethyl-4-pyridinyl)-phenylmethanone
CID 12954070

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene?
The IUPAC name of [2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene (CID 175307989) is [2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene.
What is the SMILES notation for [2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene?
The canonical SMILES for [2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene is CN(C)c1ccccc1C(=O)c1ccccc1.Cc1cc(C)cc(C)c1.
What is the InChIKey of [2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene?
The InChIKey is KGJHKFLXGHBVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.C9H12/c1-16(2)14-11-7-6-10-13(14)15(17)12-8-4-3-5-9-12;1-7-4-8(2)6-9(3)5-7/h3-11H,1-2H3;4-6H,1-3H3.
What are the key properties of [2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene?
[2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene has a molecular weight of 345.49 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene is sourced from PubChem (CID 175307989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).