4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol

C18H22FNO — CID 23453813

IUPAC4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol
SMILESCN(C)CCCC(O)c1ccc(F)cc1-c1ccccc1
InChIInChI=1S/C18H22FNO/c1-20(2)12-6-9-18(21)16-11-10-15(19)13-17(16)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,18,21H,6,9,12H2,1-2H3
InChIKeyCXWCBHHZRPQIBG-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.87
Rot. Bonds6

About 4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol

4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol (PubChem CID 23453813) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol
PubChem CID23453813
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol
SMILESCN(C)CCCC(O)c1ccc(F)cc1-c1ccccc1
InChIInChI=1S/C18H22FNO/c1-20(2)12-6-9-18(21)16-11-10-15(19)13-17(16)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,18,21H,6,9,12H2,1-2H3
InChIKeyCXWCBHHZRPQIBG-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol?
The IUPAC name of 4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol (CID 23453813) is 4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol?
The canonical SMILES for 4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol is CN(C)CCCC(O)c1ccc(F)cc1-c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol?
The InChIKey is CXWCBHHZRPQIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-20(2)12-6-9-18(21)16-11-10-15(19)13-17(16)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,18,21H,6,9,12H2,1-2H3.
What are the key properties of 4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol?
4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol has a molecular weight of 287.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(4-fluoro-2-phenylphenyl)butan-1-ol is sourced from PubChem (CID 23453813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).