3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol

C17H20FNO — CID 12549039

IUPAC3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol
SMILESCN(C)CC(O)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-19(2)12-16(20)17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16-17,20H,12H2,1-2H3
InChIKeyBOOFCMWAWAGGRA-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.88
Rot. Bonds5

About 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol

3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol (PubChem CID 12549039) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol
PubChem CID12549039
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol
SMILESCN(C)CC(O)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-19(2)12-16(20)17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16-17,20H,12H2,1-2H3
InChIKeyBOOFCMWAWAGGRA-UHFFFAOYSA-N
XLogP2.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Alphamethadol
CID 62709
3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-
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(-)-Vesamicol
CID 659840
Vesamicol
CID 5662
Betamethadol
CID 10064061
(-)-trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
CID 2734218
(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol
CID 833992
[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
CID 44363475
Piperidinium, 1-(3-hydroxy-5-methyl-4-phenylhexyl)-1-methyl-, bromide (1:1)
CID 10619
Alphamethadol hydrochloride, (-)-
CID 3041255
Levomethadyl
CID 3041256
Alphamethadol hydrochloride, (+)-
CID 206311

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol?
The IUPAC name of 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol (CID 12549039) is 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol?
The canonical SMILES for 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol is CN(C)CC(O)C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol?
The InChIKey is BOOFCMWAWAGGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-19(2)12-16(20)17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16-17,20H,12H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol?
3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol has a molecular weight of 273.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-2-ol is sourced from PubChem (CID 12549039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).