(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one

C12H17NO — CID 868051

IUPAC(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)[C@@H](C)N)c(C)c1
InChIInChI=1S/C12H17NO/c1-7-5-8(2)11(9(3)6-7)12(14)10(4)13/h5-6,10H,13H2,1-4H3/t10-/m1/s1
InChIKeyAHMUIJUZADHYHZ-SNVBAGLBSA-N
MW191.27 g/mol
LogP2.14
Rot. Bonds2

About (2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one

(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 868051) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
PubChem CID868051
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)[C@@H](C)N)c(C)c1
InChIInChI=1S/C12H17NO/c1-7-5-8(2)11(9(3)6-7)12(14)10(4)13/h5-6,10H,13H2,1-4H3/t10-/m1/s1
InChIKeyAHMUIJUZADHYHZ-SNVBAGLBSA-N
XLogP2.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(2,4,6-trimethylphenyl)propan-1-one
CID 14636852
2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone
CID 103513549
(2,4,6-trimethylphenyl) 2-aminopropanoate
CID 77308441
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
(2,4,6-trimethylphenyl) (2S)-2-aminopropanoate
CID 67529614
2-[1,3-dioxo-1,3-bis(2,4,6-trimethylphenyl)propan-2-yl]oxy-1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dione
CID 141040043
3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 116826580
2-amino-1-(3-chloro-2-hydroxy-4,6-dimethylphenyl)propan-1-one
CID 84691466
2-phosphoroso-1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dione
CID 22735025
2-amino-1-(3-chloro-4-hydroxy-2,6-dimethylphenyl)propan-1-one
CID 84691459
2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one
CID 174440509
(2S)-2-amino-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 118469870

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one (CID 868051) is (2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one is Cc1cc(C)c(C(=O)[C@@H](C)N)c(C)c1.
What is the InChIKey of (2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is AHMUIJUZADHYHZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO/c1-7-5-8(2)11(9(3)6-7)12(14)10(4)13/h5-6,10H,13H2,1-4H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one?
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one has a molecular weight of 191.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 868051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).