1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one

C16H25NO2 — CID 30287

IUPAC1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one
SMILESCCCC(=O)c1ccccc1OCCN(CC)CC
InChIInChI=1S/C16H25NO2/c1-4-9-15(18)14-10-7-8-11-16(14)19-13-12-17(5-2)6-3/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyZBEDRBNMXAPKRU-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.39
Rot. Bonds9

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

1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one (PubChem CID 30287) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one
PubChem CID30287
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one
SMILESCCCC(=O)c1ccccc1OCCN(CC)CC
InChIInChI=1S/C16H25NO2/c1-4-9-15(18)14-10-7-8-11-16(14)19-13-12-17(5-2)6-3/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyZBEDRBNMXAPKRU-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-[bis(2-chloroethyl)amino]ethoxy]phenyl]butan-1-one
CID 3788085
1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide
CID 117068814
2-[2-[butyl(ethyl)amino]ethoxy]benzohydrazide
CID 63569772
1-[2-[2-(diethylamino)ethoxy]-3-nitrophenyl]butan-1-one;hydrochloride
CID 138398531
(NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine
CID 43185548
1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
CID 104659358
2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63571903
N-[2-[2-(diethylamino)ethoxy]phenyl]pentanamide
CID 71898997
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
CID 115345793
[2-[2-(diethylamino)ethoxy]phenyl]boronic acid
CID 43145279
2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide
CID 61448716
2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride
CID 50986831

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one?
The IUPAC name of 1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one (CID 30287) is 1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one?
The canonical SMILES for 1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one is CCCC(=O)c1ccccc1OCCN(CC)CC.
What is the InChIKey of 1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one?
The InChIKey is ZBEDRBNMXAPKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-9-15(18)14-10-7-8-11-16(14)19-13-12-17(5-2)6-3/h7-8,10-11H,4-6,9,12-13H2,1-3H3.
What are the key properties of 1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one?
1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one has a molecular weight of 263.38 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one is sourced from PubChem (CID 30287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).