[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone

C17H19NO — CID 105080904

IUPAC[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H19NO/c1-12-8-13(2)10-15(9-12)17(19)14-6-5-7-16(11-14)18(3)4/h5-11H,1-4H3
InChIKeyDGSUNCAETXEDCE-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.60
Rot. Bonds3

About [3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone

[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone (PubChem CID 105080904) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
PubChem CID105080904
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H19NO/c1-12-8-13(2)10-15(9-12)17(19)14-6-5-7-16(11-14)18(3)4/h5-11H,1-4H3
InChIKeyDGSUNCAETXEDCE-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[3-(dimethylamino)phenyl]methanone
CID 14534104
methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid
CID 67683121
[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
CID 105081243
bis(3-methylphenyl)methanone
CID 17848
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978
bis(3,5-dimethylphenyl)methanone
CID 15640171
[3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 105127292
[3-[3-(4-methyl-N-(4-methylphenyl)anilino)benzoyl]phenyl]-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methanone
CID 58084709
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
1-[3-(dimethylamino)phenyl]prop-2-en-1-one
CID 19375664
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743
[3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 105099010

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone (CID 105080904) is [3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)c2cccc(N(C)C)c2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone?
The InChIKey is DGSUNCAETXEDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-8-13(2)10-15(9-12)17(19)14-6-5-7-16(11-14)18(3)4/h5-11H,1-4H3.
What are the key properties of [3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone?
[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone has a molecular weight of 253.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 105080904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).