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

C18H22FNO2 — CID 12920935

IUPAC4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol
SMILESCN(C)CCCC(O)c1ccccc1Oc1ccccc1F
InChIInChI=1S/C18H22FNO2/c1-20(2)13-7-10-16(21)14-8-3-5-11-17(14)22-18-12-6-4-9-15(18)19/h3-6,8-9,11-12,16,21H,7,10,13H2,1-2H3
InChIKeyWKILUFZYUNLGDC-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.99
Rot. Bonds7

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

4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol (PubChem CID 12920935) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol
PubChem CID12920935
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol
SMILESCN(C)CCCC(O)c1ccccc1Oc1ccccc1F
InChIInChI=1S/C18H22FNO2/c1-20(2)13-7-10-16(21)14-8-3-5-11-17(14)22-18-12-6-4-9-15(18)19/h3-6,8-9,11-12,16,21H,7,10,13H2,1-2H3
InChIKeyWKILUFZYUNLGDC-UHFFFAOYSA-N
XLogP3.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(dimethylamino)-1-(2-phenylphenyl)butan-1-ol;hydrochloride
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1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
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(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941712
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol?
The IUPAC name of 4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol (CID 12920935) is 4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol?
The canonical SMILES for 4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol is CN(C)CCCC(O)c1ccccc1Oc1ccccc1F.
What is the InChIKey of 4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol?
The InChIKey is WKILUFZYUNLGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-20(2)13-7-10-16(21)14-8-3-5-11-17(14)22-18-12-6-4-9-15(18)19/h3-6,8-9,11-12,16,21H,7,10,13H2,1-2H3.
What are the key properties of 4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol?
4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol has a molecular weight of 303.38 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[2-(2-fluorophenoxy)phenyl]butan-1-ol is sourced from PubChem (CID 12920935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).