2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one

C15H23NO — CID 82100526

IUPAC2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)NC(C)(C)C)c(C)c1
InChIInChI=1S/C15H23NO/c1-10-7-8-13(11(2)9-10)14(17)12(3)16-15(4,5)6/h7-9,12,16H,1-6H3
InChIKeySXUZSBQXQIBKMD-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.26
Rot. Bonds3

About 2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one

2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one (PubChem CID 82100526) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one
PubChem CID82100526
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)NC(C)(C)C)c(C)c1
InChIInChI=1S/C15H23NO/c1-10-7-8-13(11(2)9-10)14(17)12(3)16-15(4,5)6/h7-9,12,16H,1-6H3
InChIKeySXUZSBQXQIBKMD-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-1-(3-chloro-4-methylphenyl)propan-1-one
CID 44542510
4-(2,4-dimethylphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414229
(2R)-2-bromo-1-(2,4-dimethylphenyl)butan-1-one
CID 94723808
1-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
CID 82100549
1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100519
1-[3,4-bis(4-methylphenoxy)phenyl]-2-(tert-butylamino)propan-1-one
CID 54154091
2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)propan-1-one
CID 13080781
1-(2,4-dimethylphenyl)-2-(3-ethoxypropylamino)propan-1-one
CID 82100560
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
3-(4-tert-butyl-2-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 116918241
1-(2,4-dimethylphenyl)-3,4,4-trimethylpentan-1-one
CID 55262245
1-(2,4-dimethylphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826723

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one?
The IUPAC name of 2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one (CID 82100526) is 2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one.
What is the SMILES notation for 2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one?
The canonical SMILES for 2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)NC(C)(C)C)c(C)c1.
What is the InChIKey of 2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one?
The InChIKey is SXUZSBQXQIBKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-7-8-13(11(2)9-10)14(17)12(3)16-15(4,5)6/h7-9,12,16H,1-6H3.
What are the key properties of 2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one?
2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 82100526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).