1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol

C16H26FNO2 — CID 107717321

IUPAC1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol
SMILESCCNC(C)c1ccc(OCC(C)(O)C(C)C)cc1F
InChIInChI=1S/C16H26FNO2/c1-6-18-12(4)14-8-7-13(9-15(14)17)20-10-16(5,19)11(2)3/h7-9,11-12,18-19H,6,10H2,1-5H3
InChIKeyAWPYUESXTOLSSX-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.28
Rot. Bonds7

About 1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol

1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 107717321) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol
PubChem CID107717321
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol
SMILESCCNC(C)c1ccc(OCC(C)(O)C(C)C)cc1F
InChIInChI=1S/C16H26FNO2/c1-6-18-12(4)14-8-7-13(9-15(14)17)20-10-16(5,19)11(2)3/h7-9,11-12,18-19H,6,10H2,1-5H3
InChIKeyAWPYUESXTOLSSX-UHFFFAOYSA-N
XLogP3.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol
CID 107717911
N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 107717423
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
CID 107717175
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
CID 107717512
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
CID 107717524
N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 107717110
1-[2-fluoro-4-(2-hydroxy-2,3-dimethylbutoxy)phenyl]ethanone
CID 104922117
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide
CID 107717501
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 107716703

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol (CID 107717321) is 1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol is CCNC(C)c1ccc(OCC(C)(O)C(C)C)cc1F.
What is the InChIKey of 1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is AWPYUESXTOLSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-6-18-12(4)14-8-7-13(9-15(14)17)20-10-16(5,19)11(2)3/h7-9,11-12,18-19H,6,10H2,1-5H3.
What are the key properties of 1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol?
1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 283.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 107717321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).