2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone

C19H23NO — CID 116613314

IUPAC2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
SMILESCNCCc1ccccc1C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C19H23NO/c1-14-8-9-15(2)17(12-14)13-19(21)18-7-5-4-6-16(18)10-11-20-3/h4-9,12,20H,10-11,13H2,1-3H3
InChIKeyKCPPNGMDAJHUMI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.49
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone

2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone (PubChem CID 116613314) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
PubChem CID116613314
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
SMILESCNCCc1ccccc1C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C19H23NO/c1-14-8-9-15(2)17(12-14)13-19(21)18-7-5-4-6-16(18)10-11-20-3/h4-9,12,20H,10-11,13H2,1-3H3
InChIKeyKCPPNGMDAJHUMI-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613156
2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613287
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547383
2-[2-(methylamino)ethyl]benzamide
CID 69094527
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613183
1-[2-[2-(methylamino)ethyl]phenyl]but-3-yn-1-one
CID 116613135
2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613196
1-(2,3-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527350
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone (CID 116613314) is 2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone is CNCCc1ccccc1C(=O)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
The InChIKey is KCPPNGMDAJHUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-8-9-15(2)17(12-14)13-19(21)18-7-5-4-6-16(18)10-11-20-3/h4-9,12,20H,10-11,13H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone has a molecular weight of 281.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone is sourced from PubChem (CID 116613314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).