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

C18H22FNO — CID 143922823

IUPAC4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol
SMILESCN(C)CCC(O)(Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-20(2)12-11-18(21,14-15-7-4-3-5-8-15)16-9-6-10-17(19)13-16/h3-10,13,21H,11-12,14H2,1-2H3
InChIKeyFHXIIHHGPLZSID-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.21
Rot. Bonds6

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

4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol (PubChem CID 143922823) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol
PubChem CID143922823
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol
SMILESCN(C)CCC(O)(Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-20(2)12-11-18(21,14-15-7-4-3-5-8-15)16-9-6-10-17(19)13-16/h3-10,13,21H,11-12,14H2,1-2H3
InChIKeyFHXIIHHGPLZSID-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol?
The IUPAC name of 4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol (CID 143922823) is 4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol.
What is the SMILES notation for 4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol?
The canonical SMILES for 4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol is CN(C)CCC(O)(Cc1ccccc1)c1cccc(F)c1.
What is the InChIKey of 4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol?
The InChIKey is FHXIIHHGPLZSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-20(2)12-11-18(21,14-15-7-4-3-5-8-15)16-9-6-10-17(19)13-16/h3-10,13,21H,11-12,14H2,1-2H3.
What are the key properties of 4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol?
4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol has a molecular weight of 287.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol is sourced from PubChem (CID 143922823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).