1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one

C16H25NO — CID 115235277

IUPAC1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one
SMILESCC(=O)CNCC(C)(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H25NO/c1-11-7-12(2)15(13(3)8-11)16(5,6)10-17-9-14(4)18/h7-8,17H,9-10H2,1-6H3
InChIKeyYLEAPHTYXJIRGY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.07
Rot. Bonds5

About 1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one

1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one (PubChem CID 115235277) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one.

Molecular Properties

Compound Name1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one
PubChem CID115235277
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one
SMILESCC(=O)CNCC(C)(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H25NO/c1-11-7-12(2)15(13(3)8-11)16(5,6)10-17-9-14(4)18/h7-8,17H,9-10H2,1-6H3
InChIKeyYLEAPHTYXJIRGY-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-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

[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid
CID 115171394
2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine
CID 115136351
N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]methanediamine
CID 115226366
N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 115262537
N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamoyl bromide
CID 115194226
2-(methylamino)-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]acetamide
CID 115152174
[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol
CID 115229682
N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196167
3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide
CID 115139516
1-[[2-methyl-2-(3-methylthiophen-2-yl)propyl]amino]propan-2-one
CID 115235349
1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea
CID 115169613
[3,5-dimethyl-2-(2-methyl-4-oxopentan-2-yl)phenyl] formate
CID 171526449

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one?
The IUPAC name of 1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one (CID 115235277) is 1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one.
What is the SMILES notation for 1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one?
The canonical SMILES for 1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one is CC(=O)CNCC(C)(C)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one?
The InChIKey is YLEAPHTYXJIRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-7-12(2)15(13(3)8-11)16(5,6)10-17-9-14(4)18/h7-8,17H,9-10H2,1-6H3.
What are the key properties of 1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one?
1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one has a molecular weight of 247.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one is sourced from PubChem (CID 115235277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).