4-(diethylamino)-1,2-diphenylbut-2-en-1-ol

C20H25NO — CID 54410683

IUPAC4-(diethylamino)-1,2-diphenylbut-2-en-1-ol
SMILESCCN(CC)CC=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C20H25NO/c1-3-21(4-2)16-15-19(17-11-7-5-8-12-17)20(22)18-13-9-6-10-14-18/h5-15,20,22H,3-4,16H2,1-2H3
InChIKeyVTXBIYWZTGKDDY-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.15
Rot. Bonds7

About 4-(diethylamino)-1,2-diphenylbut-2-en-1-ol

4-(diethylamino)-1,2-diphenylbut-2-en-1-ol (PubChem CID 54410683) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(diethylamino)-1,2-diphenylbut-2-en-1-ol.

Molecular Properties

Compound Name4-(diethylamino)-1,2-diphenylbut-2-en-1-ol
PubChem CID54410683
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-(diethylamino)-1,2-diphenylbut-2-en-1-ol
SMILESCCN(CC)CC=C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C20H25NO/c1-3-21(4-2)16-15-19(17-11-7-5-8-12-17)20(22)18-13-9-6-10-14-18/h5-15,20,22H,3-4,16H2,1-2H3
InChIKeyVTXBIYWZTGKDDY-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol
CID 54014137
(E,1R)-1,2-diphenylbut-2-en-1-ol
CID 135000774
1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol
CID 54101014
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
(2E)-1-(4-chlorophenyl)-5-methyl-2-phenylhepta-2,5,6-trien-1-ol
CID 12038442
(E)-4-(diethylamino)-1-phenylbut-2-en-1-one;hydrobromide
CID 15942801
2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
2-(diethylamino)-1-phenylethanol;benzoate;hydrochloride
CID 20976039
(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol
CID 921494
ethane;[(E)-4-methylhex-2-en-3-yl]benzene
CID 167452677
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1,2-diphenylbut-2-en-1-ol?
The IUPAC name of 4-(diethylamino)-1,2-diphenylbut-2-en-1-ol (CID 54410683) is 4-(diethylamino)-1,2-diphenylbut-2-en-1-ol.
What is the SMILES notation for 4-(diethylamino)-1,2-diphenylbut-2-en-1-ol?
The canonical SMILES for 4-(diethylamino)-1,2-diphenylbut-2-en-1-ol is CCN(CC)CC=C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 4-(diethylamino)-1,2-diphenylbut-2-en-1-ol?
The InChIKey is VTXBIYWZTGKDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-21(4-2)16-15-19(17-11-7-5-8-12-17)20(22)18-13-9-6-10-14-18/h5-15,20,22H,3-4,16H2,1-2H3.
What are the key properties of 4-(diethylamino)-1,2-diphenylbut-2-en-1-ol?
4-(diethylamino)-1,2-diphenylbut-2-en-1-ol has a molecular weight of 295.43 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1,2-diphenylbut-2-en-1-ol is sourced from PubChem (CID 54410683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).