2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one

C14H21NO — CID 82493916

IUPAC2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one
SMILESCc1cc(C(C)(C)C)ccc1C(=O)C(C)N
InChIInChI=1S/C14H21NO/c1-9-8-11(14(3,4)5)6-7-12(9)13(16)10(2)15/h6-8,10H,15H2,1-5H3
InChIKeyYZJCUNNFJQQZOH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.82
Rot. Bonds2

About 2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one

2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one (PubChem CID 82493916) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one
PubChem CID82493916
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one
SMILESCc1cc(C(C)(C)C)ccc1C(=O)C(C)N
InChIInChI=1S/C14H21NO/c1-9-8-11(14(3,4)5)6-7-12(9)13(16)10(2)15/h6-8,10H,15H2,1-5H3
InChIKeyYZJCUNNFJQQZOH-UHFFFAOYSA-N
XLogP2.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(4-tert-butyl-2-methylphenyl)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

3-(4-tert-butyl-2-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 116918241
4-tert-butyl-2-methylbenzenecarboperoxoic acid
CID 54175949
1-(4-tert-butyl-2-methylphenyl)ethanone;methane
CID 161237791
2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398
2-amino-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-one
CID 84694342
2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one
CID 116920619
3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one
CID 116915472
1-(4-tert-butyl-2-methylphenyl)-3,3-dimethylbutan-1-one
CID 82498362
2-amino-1-(4-fluoro-2-methylphenyl)-3,3-dimethylbutan-1-one
CID 116611598
4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one
CID 116916617
[1-(4-tert-butyl-2-methylphenyl)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 175494845
2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one
CID 83827929

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one (CID 82493916) is 2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one is Cc1cc(C(C)(C)C)ccc1C(=O)C(C)N.
What is the InChIKey of 2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one?
The InChIKey is YZJCUNNFJQQZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-8-11(14(3,4)5)6-7-12(9)13(16)10(2)15/h6-8,10H,15H2,1-5H3.
What are the key properties of 2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one?
2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one is sourced from PubChem (CID 82493916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).