4-amino-2-methyl-6-phenoxyoctan-3-one

C15H23NO2 — CID 144532396

IUPAC4-amino-2-methyl-6-phenoxyoctan-3-one
SMILESCCC(CC(N)C(=O)C(C)C)Oc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-12(10-14(16)15(17)11(2)3)18-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10,16H2,1-3H3
InChIKeyGREDPGSXNGGSKM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.79
Rot. Bonds7

About 4-amino-2-methyl-6-phenoxyoctan-3-one

4-amino-2-methyl-6-phenoxyoctan-3-one (PubChem CID 144532396) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-amino-2-methyl-6-phenoxyoctan-3-one.

Molecular Properties

Compound Name4-amino-2-methyl-6-phenoxyoctan-3-one
PubChem CID144532396
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-amino-2-methyl-6-phenoxyoctan-3-one
SMILESCCC(CC(N)C(=O)C(C)C)Oc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-12(10-14(16)15(17)11(2)3)18-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10,16H2,1-3H3
InChIKeyGREDPGSXNGGSKM-UHFFFAOYSA-N
XLogP2.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenoxyhexanoic acid
CID 166708960
3-methyl-2-phenoxypentanamide
CID 173059765
(2S)-2-amino-5-(diaminomethylideneamino)-4-phenoxypentanoic acid
CID 70071233
2-phenoxybutyl 4-hydroxybenzoate
CID 19856968
N'-hydroxy-3-phenoxypentanimidamide
CID 43368248
[(1R)-1-phenylethyl] 2-aminobutanoate
CID 175076698
2-iodoethyl 2-phenoxypropanoate
CID 21411128
2-[2-(2-phenoxypropoxy)propoxy]propyl 2-methylpropanoate
CID 139884710
butan-2-yl 3-methyl-2-phenoxybutanoate
CID 166438385
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
hex-5-en-3-yloxybenzene
CID 174866865

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-6-phenoxyoctan-3-one?
The IUPAC name of 4-amino-2-methyl-6-phenoxyoctan-3-one (CID 144532396) is 4-amino-2-methyl-6-phenoxyoctan-3-one.
What is the SMILES notation for 4-amino-2-methyl-6-phenoxyoctan-3-one?
The canonical SMILES for 4-amino-2-methyl-6-phenoxyoctan-3-one is CCC(CC(N)C(=O)C(C)C)Oc1ccccc1.
What is the InChIKey of 4-amino-2-methyl-6-phenoxyoctan-3-one?
The InChIKey is GREDPGSXNGGSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-12(10-14(16)15(17)11(2)3)18-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10,16H2,1-3H3.
What are the key properties of 4-amino-2-methyl-6-phenoxyoctan-3-one?
4-amino-2-methyl-6-phenoxyoctan-3-one has a molecular weight of 249.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-6-phenoxyoctan-3-one is sourced from PubChem (CID 144532396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).