2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one

C14H21NO2 — CID 116920619

IUPAC2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one
SMILESCc1ccc(C(C)(C)C)cc1C(=O)C(N)CO
InChIInChI=1S/C14H21NO2/c1-9-5-6-10(14(2,3)4)7-11(9)13(17)12(15)8-16/h5-7,12,16H,8,15H2,1-4H3
InChIKeyCHTDFHFDBNXTIE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.79
Rot. Bonds3

About 2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one

2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one (PubChem CID 116920619) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one
PubChem CID116920619
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one
SMILESCc1ccc(C(C)(C)C)cc1C(=O)C(N)CO
InChIInChI=1S/C14H21NO2/c1-9-5-6-10(14(2,3)4)7-11(9)13(17)12(15)8-16/h5-7,12,16H,8,15H2,1-4H3
InChIKeyCHTDFHFDBNXTIE-UHFFFAOYSA-N
XLogP1.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one
CID 116915472
2-amino-N-(5-tert-butyl-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179704
1-(5-tert-butyl-2-methylphenyl)-2-(ethylamino)butan-1-one
CID 112512759
2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one
CID 82493916
5-tert-butyl-2-methylbenzenecarbothioamide
CID 82077580
1-(5-tert-butyl-2-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266176
2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 116920632
2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one
CID 116594205
2-(butan-2-ylamino)-1-(5-tert-butyl-2-methylphenyl)ethanone
CID 112510754
2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid
CID 115240661
2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398
2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179679

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one?
The IUPAC name of 2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one (CID 116920619) is 2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one.
What is the SMILES notation for 2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one?
The canonical SMILES for 2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one is Cc1ccc(C(C)(C)C)cc1C(=O)C(N)CO.
What is the InChIKey of 2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one?
The InChIKey is CHTDFHFDBNXTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-5-6-10(14(2,3)4)7-11(9)13(17)12(15)8-16/h5-7,12,16H,8,15H2,1-4H3.
What are the key properties of 2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one?
2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one has a molecular weight of 235.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one is sourced from PubChem (CID 116920619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).