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

C14H21NO — CID 82100647

IUPAC1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO/c1-10(15-5)13(16)11-6-8-12(9-7-11)14(2,3)4/h6-10,15H,1-5H3
InChIKeyTUPOCIRJZWKKAR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.77
Rot. Bonds3

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

1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one (PubChem CID 82100647) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one
PubChem CID82100647
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21NO/c1-10(15-5)13(16)11-6-8-12(9-7-11)14(2,3)4/h6-10,15H,1-5H3
InChIKeyTUPOCIRJZWKKAR-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-2-(methylamino)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

[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]carbamic acid
CID 141043389
1-(4-tert-butylphenyl)-2-(propylamino)propan-1-one
CID 82100622
1-(4-tert-butylphenyl)-2-(3-methylbutylamino)propan-1-one
CID 82100653
2-bromo-1-(4-tert-butylphenyl)propan-1-one
CID 43144127
1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one
CID 83971810
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469
2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
CID 82100631
1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807
1-(4-tert-butylphenyl)-2-methylpentan-1-one
CID 43160032
4-(4-tert-butylphenyl)-3-methyl-4-oxobutanenitrile
CID 54945510
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-tert-butylbenzamide
CID 61121057
4-tert-butyl-N,N'-di(propan-2-yl)benzohydrazide
CID 163788626

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one (CID 82100647) is 1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one is CNC(C)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one?
The InChIKey is TUPOCIRJZWKKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(15-5)13(16)11-6-8-12(9-7-11)14(2,3)4/h6-10,15H,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one?
1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.77, 3 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-(methylamino)propan-1-one is sourced from PubChem (CID 82100647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).