4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one

C20H25NO — CID 144767974

IUPAC4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one
SMILESCC(=O)CCc1cc(NCCc2ccc(C)cc2)ccc1C
InChIInChI=1S/C20H25NO/c1-15-4-8-18(9-5-15)12-13-21-20-11-6-16(2)19(14-20)10-7-17(3)22/h4-6,8-9,11,14,21H,7,10,12-13H2,1-3H3
InChIKeyOWTGHPLYCRTZPF-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.48
Rot. Bonds7

About 4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one

4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one (PubChem CID 144767974) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one
PubChem CID144767974
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one
SMILESCC(=O)CCc1cc(NCCc2ccc(C)cc2)ccc1C
InChIInChI=1S/C20H25NO/c1-15-4-8-18(9-5-15)12-13-21-20-11-6-16(2)19(14-20)10-7-17(3)22/h4-6,8-9,11,14,21H,7,10,12-13H2,1-3H3
InChIKeyOWTGHPLYCRTZPF-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
3-ethyl-4-methyl-N-(2-phenylethyl)aniline
CID 114250176
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
1-[3-(2-phenylethylamino)phenyl]propan-2-one
CID 69386114
methane;5-(4-methylphenyl)pentan-2-one
CID 159376155
4-(2-fluoro-4-methylphenyl)butan-2-one
CID 83696261
N-[2-(4-methylphenyl)ethyl]-3-oxobutanamide
CID 115176502
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
4-ethyl-3-methyl-N-(2-phenylethyl)aniline
CID 114250118
N,3-bis(4-methylphenyl)propanamide
CID 19220434
4-(3-hydroxy-4-methylphenyl)butan-2-one
CID 83695947
4-(3,4-dimethylphenyl)butan-2-one;propane
CID 143070567

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one?
The IUPAC name of 4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one (CID 144767974) is 4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one.
What is the SMILES notation for 4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one?
The canonical SMILES for 4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one is CC(=O)CCc1cc(NCCc2ccc(C)cc2)ccc1C.
What is the InChIKey of 4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one?
The InChIKey is OWTGHPLYCRTZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15-4-8-18(9-5-15)12-13-21-20-11-6-16(2)19(14-20)10-7-17(3)22/h4-6,8-9,11,14,21H,7,10,12-13H2,1-3H3.
What are the key properties of 4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one?
4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one has a molecular weight of 295.43 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-[2-(4-methylphenyl)ethylamino]phenyl]butan-2-one is sourced from PubChem (CID 144767974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).