4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol

C18H20FNO — CID 54014137

IUPAC4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol
SMILESCN(C)CC=C(c1ccc(F)cc1)C(O)c1ccccc1
InChIInChI=1S/C18H20FNO/c1-20(2)13-12-17(14-8-10-16(19)11-9-14)18(21)15-6-4-3-5-7-15/h3-12,18,21H,13H2,1-2H3
InChIKeyKUKZEBCUYDLTSV-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.50
Rot. Bonds5

About 4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol

4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol (PubChem CID 54014137) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol
PubChem CID54014137
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol
SMILESCN(C)CC=C(c1ccc(F)cc1)C(O)c1ccccc1
InChIInChI=1S/C18H20FNO/c1-20(2)13-12-17(14-8-10-16(19)11-9-14)18(21)15-6-4-3-5-7-15/h3-12,18,21H,13H2,1-2H3
InChIKeyKUKZEBCUYDLTSV-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol
CID 54101014
4-(diethylamino)-1,2-diphenylbut-2-en-1-ol
CID 54410683
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063
(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 21116502
(E,1R)-1,2-diphenylbut-2-en-1-ol
CID 135000774
(Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6372024
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
CID 12717111
(1R,2R)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 134955278
(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 20838904
ethyl (Z)-3-(4-fluorophenyl)-2-[hydroxy(phenyl)methyl]but-2-enoate
CID 102487735
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine
CID 71320673

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol?
The IUPAC name of 4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol (CID 54014137) is 4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol.
What is the SMILES notation for 4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol?
The canonical SMILES for 4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol is CN(C)CC=C(c1ccc(F)cc1)C(O)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol?
The InChIKey is KUKZEBCUYDLTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-20(2)13-12-17(14-8-10-16(19)11-9-14)18(21)15-6-4-3-5-7-15/h3-12,18,21H,13H2,1-2H3.
What are the key properties of 4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol?
4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol has a molecular weight of 285.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol is sourced from PubChem (CID 54014137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).