4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one

C19H23NO — CID 116599033

IUPAC4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one
SMILESCc1ccc(C)c(CC(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-13-9-10-14(2)17(11-13)12-18(21)15(3)19(20)16-7-5-4-6-8-16/h4-11,15,19H,12,20H2,1-3H3
InChIKeyLNRVAFGECYTSIA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.75
Rot. Bonds5

About 4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one

4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one (PubChem CID 116599033) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one
PubChem CID116599033
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one
SMILESCc1ccc(C)c(CC(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-13-9-10-14(2)17(11-13)12-18(21)15(3)19(20)16-7-5-4-6-8-16/h4-11,15,19H,12,20H2,1-3H3
InChIKeyLNRVAFGECYTSIA-UHFFFAOYSA-N
XLogP3.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-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

1-amino-3-(2,5-dimethylphenyl)-1-phenylpropan-2-one
CID 116551306
1-(2,5-dimethylphenyl)-3-hydroxybutan-2-one
CID 103451453
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
4-amino-1-(2-bromo-3-fluorophenyl)-3-methyl-4-phenylbutan-2-one
CID 116599027
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-4-phenylbutan-2-one
CID 116599023
3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide
CID 82747385
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119716655
4-amino-1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methyl-4-phenylbutan-2-one
CID 116598997
1-amino-3-(2-chloro-4-methylphenyl)-1-phenylpropan-2-one
CID 106871178
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-one
CID 79496033
4-amino-1-(5-bromo-2-pyridinyl)-3-methyl-4-phenylbutan-2-one
CID 116599054

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one?
The IUPAC name of 4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one (CID 116599033) is 4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one.
What is the SMILES notation for 4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one?
The canonical SMILES for 4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one is Cc1ccc(C)c(CC(=O)C(C)C(N)c2ccccc2)c1.
What is the InChIKey of 4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one?
The InChIKey is LNRVAFGECYTSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-9-10-14(2)17(11-13)12-18(21)15(3)19(20)16-7-5-4-6-8-16/h4-11,15,19H,12,20H2,1-3H3.
What are the key properties of 4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one?
4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one has a molecular weight of 281.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,5-dimethylphenyl)-3-methyl-4-phenylbutan-2-one is sourced from PubChem (CID 116599033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).