4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one

C14H21NO2 — CID 141149368

IUPAC4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
SMILESCCN(CC)CCCC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-3-15(4-2)11-5-6-14(17)12-7-9-13(16)10-8-12/h7-10,16H,3-6,11H2,1-2H3
InChIKeyLEGVJRMXRTYHQS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.70
Rot. Bonds7

About 4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one

4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one (PubChem CID 141149368) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one.

Molecular Properties

Compound Name4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
PubChem CID141149368
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
SMILESCCN(CC)CCCC(=O)c1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-3-15(4-2)11-5-6-14(17)12-7-9-13(16)10-8-12/h7-10,16H,3-6,11H2,1-2H3
InChIKeyLEGVJRMXRTYHQS-UHFFFAOYSA-N
XLogP2.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(diethylamino)butanoyl]phenyl]acetamide
CID 160663659
4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one
CID 43792937
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one
CID 102995017
1-(4-bromophenyl)-4-[ethyl(2-methylpropyl)amino]butan-1-one
CID 43793005
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079
3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 115927903
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752
5-(4-hydroxyphenyl)-5-oxopentanoic acid
CID 58253057
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
N-ethyl-2-[ethyl-(4-oxo-4-phenylbutyl)amino]acetamide
CID 60695594

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one?
The IUPAC name of 4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one (CID 141149368) is 4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one.
What is the SMILES notation for 4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one?
The canonical SMILES for 4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one is CCN(CC)CCCC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one?
The InChIKey is LEGVJRMXRTYHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-15(4-2)11-5-6-14(17)12-7-9-13(16)10-8-12/h7-10,16H,3-6,11H2,1-2H3.
What are the key properties of 4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one?
4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one is sourced from PubChem (CID 141149368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).