1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one

C15H23NO3 — CID 116826728

IUPAC1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
SMILESCNCC(O)C(=O)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H23NO3/c1-15(2,3)11-8-10(6-7-13(11)19-5)14(18)12(17)9-16-4/h6-8,12,16-17H,9H2,1-5H3
InChIKeyGQZQVXKEQYPNOO-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.76
Rot. Bonds5

About 1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one

1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one (PubChem CID 116826728) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
PubChem CID116826728
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
SMILESCNCC(O)C(=O)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C15H23NO3/c1-15(2,3)11-8-10(6-7-13(11)19-5)14(18)12(17)9-16-4/h6-8,12,16-17H,9H2,1-5H3
InChIKeyGQZQVXKEQYPNOO-UHFFFAOYSA-N
XLogP1.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826719
1-(4-ethoxy-3-methylphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826758
1-(3-tert-butyl-4-methoxyphenyl)-2-sulfanylethanone
CID 82129796
2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone
CID 82048891
1-(3-tert-butyl-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 95468528
1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826759
1-(3-tert-butyl-4-methoxyphenyl)-3-methylbutane-1,2-dione
CID 94693468
3-tert-butyl-4-methoxy-N-propylbenzamide
CID 110761278
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932438
1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one
CID 146008941
3-tert-butyl-4-methoxy-N-pyrimidin-2-ylbenzamide
CID 110761309
1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 112510511

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one?
The IUPAC name of 1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one (CID 116826728) is 1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one is CNCC(O)C(=O)c1ccc(OC)c(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one?
The InChIKey is GQZQVXKEQYPNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)11-8-10(6-7-13(11)19-5)14(18)12(17)9-16-4/h6-8,12,16-17H,9H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one?
1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one has a molecular weight of 265.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one is sourced from PubChem (CID 116826728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).