5-amino-1-methoxy-3-phenylhexan-2-one

C13H19NO2 — CID 57111763

IUPAC5-amino-1-methoxy-3-phenylhexan-2-one
SMILESCOCC(=O)C(CC(C)N)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(14)8-12(13(15)9-16-2)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3
InChIKeyIXPHNWBGNKPWBS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.72
Rot. Bonds6

About 5-amino-1-methoxy-3-phenylhexan-2-one

5-amino-1-methoxy-3-phenylhexan-2-one (PubChem CID 57111763) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-amino-1-methoxy-3-phenylhexan-2-one.

Molecular Properties

Compound Name5-amino-1-methoxy-3-phenylhexan-2-one
PubChem CID57111763
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5-amino-1-methoxy-3-phenylhexan-2-one
SMILESCOCC(=O)C(CC(C)N)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(14)8-12(13(15)9-16-2)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3
InChIKeyIXPHNWBGNKPWBS-UHFFFAOYSA-N
XLogP1.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxobutan-2-yl (2S)-2-amino-3-phenylpropanoate
CID 10879088
methyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate
CID 15605747
(5S)-5-amino-1-methoxy-5-[3-(trifluoromethyl)phenyl]pentan-2-one
CID 159247726
3-Amino-1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-one
CID 105376569
3-Amino-1-(2,4-difluorophenyl)-6-methoxyhexan-2-one
CID 113540996
3-Amino-1-(5-fluoro-2-methylphenyl)-6-methoxyhexan-2-one
CID 113709449
3-Amino-1-(4-fluoro-2-methylphenyl)-5-methoxypentan-2-one
CID 114350399
3-Amino-1-(4-fluoro-2-methylphenyl)-6-methoxyhexan-2-one
CID 114350472
3-Amino-1-(2,6-difluorophenyl)-6-methoxyhexan-2-one
CID 114935463
3-Amino-1-(3-fluorophenyl)-5-methoxypentan-2-one
CID 116567161
3-Amino-1-(4-fluorophenyl)-5-methoxypentan-2-one
CID 116567230
3-Amino-1-(2-fluorophenyl)-5-methoxypentan-2-one
CID 116567331

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methoxy-3-phenylhexan-2-one?
The IUPAC name of 5-amino-1-methoxy-3-phenylhexan-2-one (CID 57111763) is 5-amino-1-methoxy-3-phenylhexan-2-one.
What is the SMILES notation for 5-amino-1-methoxy-3-phenylhexan-2-one?
The canonical SMILES for 5-amino-1-methoxy-3-phenylhexan-2-one is COCC(=O)C(CC(C)N)c1ccccc1.
What is the InChIKey of 5-amino-1-methoxy-3-phenylhexan-2-one?
The InChIKey is IXPHNWBGNKPWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(14)8-12(13(15)9-16-2)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3.
What are the key properties of 5-amino-1-methoxy-3-phenylhexan-2-one?
5-amino-1-methoxy-3-phenylhexan-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methoxy-3-phenylhexan-2-one is sourced from PubChem (CID 57111763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).