4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen

C14H23NO2 — CID 142365474

IUPAC4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen
SMILESCCNCCOc1cccc(CCC(C)=O)c1.[H][H]
InChIInChI=1S/C14H21NO2.H2/c1-3-15-9-10-17-14-6-4-5-13(11-14)8-7-12(2)16;/h4-6,11,15H,3,7-10H2,1-2H3;1H
InChIKeyWMZVXQWISWIAAA-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.44
Rot. Bonds8

About 4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen

4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen (PubChem CID 142365474) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen.

Molecular Properties

Compound Name4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen
PubChem CID142365474
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen
SMILESCCNCCOc1cccc(CCC(C)=O)c1.[H][H]
InChIInChI=1S/C14H21NO2.H2/c1-3-15-9-10-17-14-6-4-5-13(11-14)8-7-12(2)16;/h4-6,11,15H,3,7-10H2,1-2H3;1H
InChIKeyWMZVXQWISWIAAA-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.44
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

ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one
CID 142368969
4-[5-[2-(ethylamino)ethoxy]-2-fluorophenyl]butan-2-one
CID 142409708
N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
CID 141109153
ethane;6-(3-propoxyphenyl)hexan-2-one
CID 157048681
ethane;4-[3-(2-methylpropoxy)phenyl]butan-2-one
CID 176935151
3-[2-(3-decoxyphenyl)ethylamino]propanoic acid
CID 23121759
3-[2-(3-hexoxyphenyl)ethylamino]propanoic acid
CID 23121635
[2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate
CID 71072933
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20987714
3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324546
4-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pentan-3-one
CID 126654778
ethane;N-methyl-2-(3-propylphenoxy)ethanamine
CID 142327682

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen?
The IUPAC name of 4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen (CID 142365474) is 4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen.
What is the SMILES notation for 4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen?
The canonical SMILES for 4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen is CCNCCOc1cccc(CCC(C)=O)c1.[H][H].
What is the InChIKey of 4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen?
The InChIKey is WMZVXQWISWIAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.H2/c1-3-15-9-10-17-14-6-4-5-13(11-14)8-7-12(2)16;/h4-6,11,15H,3,7-10H2,1-2H3;1H.
What are the key properties of 4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen?
4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen has a molecular weight of 237.34 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen is sourced from PubChem (CID 142365474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).