4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one

C15H23NO2 — CID 115235918

IUPAC4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
SMILESCCc1ccc(OC)c(CCNCCC(C)=O)c1
InChIInChI=1S/C15H23NO2/c1-4-13-5-6-15(18-3)14(11-13)8-10-16-9-7-12(2)17/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyHCHHRNBMWXPGAP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.37
Rot. Bonds8

About 4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one

4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one (PubChem CID 115235918) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one.

Molecular Properties

Compound Name4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
PubChem CID115235918
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
SMILESCCc1ccc(OC)c(CCNCCC(C)=O)c1
InChIInChI=1S/C15H23NO2/c1-4-13-5-6-15(18-3)14(11-13)8-10-16-9-7-12(2)17/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyHCHHRNBMWXPGAP-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
CID 110788778
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamoyl chloride
CID 115194910
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one
CID 115236659
5-[2-(2,5-dimethoxyphenyl)ethylamino]pentan-2-one
CID 115236656
(E)-4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]but-2-enoic acid
CID 115237281
4-[2-(4,5-dimethoxy-2-methylphenyl)ethylamino]butan-2-one
CID 115235940
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 115258035
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236595
methyl 3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoate
CID 115232481

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one?
The IUPAC name of 4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one (CID 115235918) is 4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one.
What is the SMILES notation for 4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one?
The canonical SMILES for 4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one is CCc1ccc(OC)c(CCNCCC(C)=O)c1.
What is the InChIKey of 4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one?
The InChIKey is HCHHRNBMWXPGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-13-5-6-15(18-3)14(11-13)8-10-16-9-7-12(2)17/h5-6,11,16H,4,7-10H2,1-3H3.
What are the key properties of 4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one?
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one has a molecular weight of 249.35 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one is sourced from PubChem (CID 115235918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).