1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one

C16H25NO — CID 82100622

IUPAC1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one
SMILESCCCNC(C)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO/c1-6-11-17-12(2)15(18)13-7-9-14(10-8-13)16(3,4)5/h7-10,12,17H,6,11H2,1-5H3
InChIKeyJYQALMCZQMSAIN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds5

About 1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one

1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one (PubChem CID 82100622) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one
PubChem CID82100622
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one
SMILESCCCNC(C)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25NO/c1-6-11-17-12(2)15(18)13-7-9-14(10-8-13)16(3,4)5/h7-10,12,17H,6,11H2,1-5H3
InChIKeyJYQALMCZQMSAIN-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-2-(propylamino)propan-1-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-(4-tert-butylphenyl)-2-(3-methylbutylamino)propan-1-one
CID 82100653
1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one
CID 82100647
2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
CID 82100631
1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one
CID 82100707
1-(4-tert-butylphenyl)-2-methylpentan-1-one
CID 43160032
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]carbamic acid
CID 141043389
1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807
1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one
CID 82101131
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874
2-bromo-1-(4-tert-butylphenyl)propan-1-one
CID 43144127
2-bromo-1-(4-tert-butylphenyl)butan-1-one
CID 63386110
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one (CID 82100622) is 1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one is CCCNC(C)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one?
The InChIKey is JYQALMCZQMSAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-11-17-12(2)15(18)13-7-9-14(10-8-13)16(3,4)5/h7-10,12,17H,6,11H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one?
1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one has a molecular weight of 247.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one is sourced from PubChem (CID 82100622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).