4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol

C19H24FNO2 — CID 57302080

IUPAC4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol
SMILESCN(C)CCCC(O)(c1ccc(F)cc1)c1ccccc1CO
InChIInChI=1S/C19H24FNO2/c1-21(2)13-5-12-19(23,16-8-10-17(20)11-9-16)18-7-4-3-6-15(18)14-22/h3-4,6-11,22-23H,5,12-14H2,1-2H3
InChIKeyDUSBBMJAULQSHT-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.90
Rot. Bonds7

About 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol

4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol (PubChem CID 57302080) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol
PubChem CID57302080
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol
SMILESCN(C)CCCC(O)(c1ccc(F)cc1)c1ccccc1CO
InChIInChI=1S/C19H24FNO2/c1-21(2)13-5-12-19(23,16-8-10-17(20)11-9-16)18-7-4-3-6-15(18)14-22/h3-4,6-11,22-23H,5,12-14H2,1-2H3
InChIKeyDUSBBMJAULQSHT-UHFFFAOYSA-N
XLogP2.90
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol?
The IUPAC name of 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol (CID 57302080) is 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol?
The canonical SMILES for 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol is CN(C)CCCC(O)(c1ccc(F)cc1)c1ccccc1CO.
What is the InChIKey of 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol?
The InChIKey is DUSBBMJAULQSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-21(2)13-5-12-19(23,16-8-10-17(20)11-9-16)18-7-4-3-6-15(18)14-22/h3-4,6-11,22-23H,5,12-14H2,1-2H3.
What are the key properties of 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol?
4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol has a molecular weight of 317.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol is sourced from PubChem (CID 57302080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).