5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one

C15H23NO3 — CID 116607622

IUPAC5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one
SMILESCOCCOc1ccccc1C(=O)CCC(C)CN
InChIInChI=1S/C15H23NO3/c1-12(11-16)7-8-14(17)13-5-3-4-6-15(13)19-10-9-18-2/h3-6,12H,7-11,16H2,1-2H3
InChIKeyDSIRXYLPDQKGFV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.27
Rot. Bonds9

About 5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one

5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one (PubChem CID 116607622) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one
PubChem CID116607622
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one
SMILESCOCCOc1ccccc1C(=O)CCC(C)CN
InChIInChI=1S/C15H23NO3/c1-12(11-16)7-8-14(17)13-5-3-4-6-15(13)19-10-9-18-2/h3-6,12H,7-11,16H2,1-2H3
InChIKeyDSIRXYLPDQKGFV-UHFFFAOYSA-N
XLogP2.27
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.27
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-methoxyethoxy)phenyl]pentan-1-one
CID 104659358
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105128345
1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one
CID 114221891
2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
CID 103453033
N-(2-aminophenyl)-8-[2-(2-methoxyethoxy)phenyl]-8-oxooctanamide
CID 149460291
2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 116579069
1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one
CID 116563449
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
1-[2-[2-(3-amino-2-methylpropyl)sulfanylethoxy]phenyl]ethanone
CID 66226580

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one (CID 116607622) is 5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one is COCCOc1ccccc1C(=O)CCC(C)CN.
What is the InChIKey of 5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one?
The InChIKey is DSIRXYLPDQKGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(11-16)7-8-14(17)13-5-3-4-6-15(13)19-10-9-18-2/h3-6,12H,7-11,16H2,1-2H3.
What are the key properties of 5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one?
5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one has a molecular weight of 265.35 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one is sourced from PubChem (CID 116607622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).