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

C12H17NO2 — CID 116826580

IUPAC3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(O)CN)c(C)c1
InChIInChI=1S/C12H17NO2/c1-7-4-8(2)11(9(3)5-7)12(15)10(14)6-13/h4-5,10,14H,6,13H2,1-3H3
InChIKeyCFUXMGGCVCMJID-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.11
Rot. Bonds3

About 3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one

3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 116826580) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
PubChem CID116826580
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(O)CN)c(C)c1
InChIInChI=1S/C12H17NO2/c1-7-4-8(2)11(9(3)5-7)12(15)10(14)6-13/h4-5,10,14H,6,13H2,1-3H3
InChIKeyCFUXMGGCVCMJID-UHFFFAOYSA-N
XLogP1.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-hydroxy-1-(4-methoxy-2,3,6-trimethylphenyl)propan-1-one
CID 116826679
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883011
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone
CID 103513549
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
trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium
CID 159688001
1,2-bis(2,4,6-trimethylphenyl)propan-1-one
CID 14636852
2-phosphoroso-1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dione
CID 22735025
2,4-dichloro-1-(2,4,6-trimethylphenyl)butan-1-one
CID 82121115
2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one
CID 106883040
2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one
CID 174440509

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of 3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one (CID 116826580) is 3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for 3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one is Cc1cc(C)c(C(=O)C(O)CN)c(C)c1.
What is the InChIKey of 3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is CFUXMGGCVCMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-4-8(2)11(9(3)5-7)12(15)10(14)6-13/h4-5,10,14H,6,13H2,1-3H3.
What are the key properties of 3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one?
3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one has a molecular weight of 207.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 116826580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).