1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone

C14H23NO3 — CID 160637935

IUPAC1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone
SMILESCC(=O)c1ccccc1.COCCOCC(C)N
InChIInChI=1S/C8H8O.C6H15NO2/c1-7(9)8-5-3-2-4-6-8;1-6(7)5-9-4-3-8-2/h2-6H,1H3;6H,3-5,7H2,1-2H3
InChIKeyRIUAXXHFEZCKNH-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.89
Rot. Bonds6

About 1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone

1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone (PubChem CID 160637935) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone.

Molecular Properties

Compound Name1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone
PubChem CID160637935
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone
SMILESCC(=O)c1ccccc1.COCCOCC(C)N
InChIInChI=1S/C8H8O.C6H15NO2/c1-7(9)8-5-3-2-4-6-8;1-6(7)5-9-4-3-8-2/h2-6H,1H3;6H,3-5,7H2,1-2H3
InChIKeyRIUAXXHFEZCKNH-UHFFFAOYSA-N
XLogP1.89
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,4,6-trimethyloctane;1-phenylethanone
CID 161226178
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
methoxymethyl acetate;1-phenylethanone
CID 91080565
CID 22025249
CID 22025249
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
2-methoxyethoxymethyl benzoate
CID 11275823
3-(2-methoxyethoxy)-2-phenylpropanoic acid
CID 63073447
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
CID 19980201
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone?
The IUPAC name of 1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone (CID 160637935) is 1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone.
What is the SMILES notation for 1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone?
The canonical SMILES for 1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone is CC(=O)c1ccccc1.COCCOCC(C)N.
What is the InChIKey of 1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone?
The InChIKey is RIUAXXHFEZCKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C6H15NO2/c1-7(9)8-5-3-2-4-6-8;1-6(7)5-9-4-3-8-2/h2-6H,1H3;6H,3-5,7H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone?
1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone has a molecular weight of 253.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)propan-2-amine;1-phenylethanone is sourced from PubChem (CID 160637935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).