1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one

C14H21NO2 — CID 167241747

IUPAC1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one
SMILESCCNCCOc1ccc(CC(=O)CC)cc1
InChIInChI=1S/C14H21NO2/c1-3-13(16)11-12-5-7-14(8-6-12)17-10-9-15-4-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyGTNYHASSDFSQMN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.20
Rot. Bonds8

About 1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one

1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one (PubChem CID 167241747) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one.

Molecular Properties

Compound Name1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one
PubChem CID167241747
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one
SMILESCCNCCOc1ccc(CC(=O)CC)cc1
InChIInChI=1S/C14H21NO2/c1-3-13(16)11-12-5-7-14(8-6-12)17-10-9-15-4-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyGTNYHASSDFSQMN-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.20
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

2-[4-[2-(ethylamino)ethoxy]phenyl]-N-formylacetamide
CID 88991365
N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
CID 75531601
N-[4-[2-(ethylamino)ethoxy]phenyl]acetamide
CID 103074267
ethane;1-[4-(2-methylpropoxy)phenyl]butan-2-one
CID 142534707
1-(4-butoxyphenyl)-3-hydroxypropan-2-one
CID 58028393
2-(4-chlorophenoxy)-N-ethylethanamine;hydrochloride
CID 75531594
3-(4-butoxyphenyl)-2-oxopropan-1-olate
CID 58028394
1-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenyl]pentan-2-one
CID 23169489
N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
CID 22368875
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
CID 70467709

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one?
The IUPAC name of 1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one (CID 167241747) is 1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one.
What is the SMILES notation for 1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one?
The canonical SMILES for 1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one is CCNCCOc1ccc(CC(=O)CC)cc1.
What is the InChIKey of 1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one?
The InChIKey is GTNYHASSDFSQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-13(16)11-12-5-7-14(8-6-12)17-10-9-15-4-2/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one?
1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(ethylamino)ethoxy]phenyl]butan-2-one is sourced from PubChem (CID 167241747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).