4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol

C14H22FNO2 — CID 116907790

IUPAC4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol
SMILESCCOc1ccc(C(CCCO)N(C)C)cc1F
InChIInChI=1S/C14H22FNO2/c1-4-18-14-8-7-11(10-12(14)15)13(16(2)3)6-5-9-17/h7-8,10,13,17H,4-6,9H2,1-3H3
InChIKeyGWUGTLODYIATIO-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.60
Rot. Bonds7

About 4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol

4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol (PubChem CID 116907790) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol
PubChem CID116907790
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol
SMILESCCOc1ccc(C(CCCO)N(C)C)cc1F
InChIInChI=1S/C14H22FNO2/c1-4-18-14-8-7-11(10-12(14)15)13(16(2)3)6-5-9-17/h7-8,10,13,17H,4-6,9H2,1-3H3
InChIKeyGWUGTLODYIATIO-UHFFFAOYSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one
CID 116910641
4-(dimethylamino)-4-(4-ethoxyphenyl)butan-1-ol
CID 116907779
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83935225
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
CID 82282191
2-amino-2-(4-ethoxy-3-fluorophenyl)-N,N-dimethylacetamide
CID 116850116
1-(3-fluoro-4-propan-2-yloxyphenyl)-N,N-dimethylpropane-1,3-diamine
CID 112518983
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
N-[(1S)-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 28702275
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396
1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 112512391
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine
CID 29064082

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol?
The IUPAC name of 4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol (CID 116907790) is 4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol?
The canonical SMILES for 4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol is CCOc1ccc(C(CCCO)N(C)C)cc1F.
What is the InChIKey of 4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol?
The InChIKey is GWUGTLODYIATIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-4-18-14-8-7-11(10-12(14)15)13(16(2)3)6-5-9-17/h7-8,10,13,17H,4-6,9H2,1-3H3.
What are the key properties of 4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol?
4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol has a molecular weight of 255.33 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(4-ethoxy-3-fluorophenyl)butan-1-ol is sourced from PubChem (CID 116907790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).