1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one

C14H21NO2 — CID 54946725

IUPAC1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one
SMILESCOCC(C)N(C)CC(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(11-17-3)15(2)10-14(16)9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyNAKKIQDLWLBJKR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.76
Rot. Bonds7

About 1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one

1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one (PubChem CID 54946725) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one
PubChem CID54946725
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one
SMILESCOCC(C)N(C)CC(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(11-17-3)15(2)10-14(16)9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyNAKKIQDLWLBJKR-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl(2-methoxyethyl)amino]-3-phenylpropan-2-one
CID 54949080
1-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropan-2-one
CID 62051873
1-[methyl(2-methylbutyl)amino]-3-phenylpropan-2-one
CID 43796143
1-phenyl-3-[propan-2-yl(propyl)amino]propan-2-one
CID 43795409
N-(2-aminophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]acetamide
CID 54948690
2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone
CID 61451901
ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate
CID 79006267
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 167578330
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 159058422
1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55010600
1-[2-hydroxyethyl(propan-2-yl)amino]-3-phenylpropan-2-one
CID 62030901
1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one
CID 106448309

Frequently Asked Questions

What is the IUPAC name of 1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one?
The IUPAC name of 1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one (CID 54946725) is 1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one?
The canonical SMILES for 1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one is COCC(C)N(C)CC(=O)Cc1ccccc1.
What is the InChIKey of 1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one?
The InChIKey is NAKKIQDLWLBJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(11-17-3)15(2)10-14(16)9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3.
What are the key properties of 1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one?
1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one is sourced from PubChem (CID 54946725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).