5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one

C15H23NO3 — CID 115236656

IUPAC5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
SMILESCOc1ccc(OC)c(CCNCCCC(C)=O)c1
InChIInChI=1S/C15H23NO3/c1-12(17)5-4-9-16-10-8-13-11-14(18-2)6-7-15(13)19-3/h6-7,11,16H,4-5,8-10H2,1-3H3
InChIKeyZUQLYOGAXOKTFZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.21
Rot. Bonds9

About 5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one

5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one (PubChem CID 115236656) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one.

Molecular Properties

Compound Name5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
PubChem CID115236656
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
SMILESCOc1ccc(OC)c(CCNCCCC(C)=O)c1
InChIInChI=1S/C15H23NO3/c1-12(17)5-4-9-16-10-8-13-11-14(18-2)6-7-15(13)19-3/h6-7,11,16H,4-5,8-10H2,1-3H3
InChIKeyZUQLYOGAXOKTFZ-UHFFFAOYSA-N
XLogP2.21
TPSA47.56 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 ≤ 52.21
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

4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-2-one
CID 115235884
5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one
CID 115236659
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
CID 115217746
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 39245762
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918
N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227129
5-[(2,5-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236571
ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate
CID 115257468
(Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one
CID 102021855
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one?
The IUPAC name of 5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one (CID 115236656) is 5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one.
What is the SMILES notation for 5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one?
The canonical SMILES for 5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one is COc1ccc(OC)c(CCNCCCC(C)=O)c1.
What is the InChIKey of 5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one?
The InChIKey is ZUQLYOGAXOKTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(17)5-4-9-16-10-8-13-11-14(18-2)6-7-15(13)19-3/h6-7,11,16H,4-5,8-10H2,1-3H3.
What are the key properties of 5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one?
5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one has a molecular weight of 265.35 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one is sourced from PubChem (CID 115236656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).