1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol

C14H22FNO3 — CID 107716918

IUPAC1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
SMILESCCOCC(O)COc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C14H22FNO3/c1-4-18-8-11(17)9-19-12-5-6-13(10(2)16-3)14(15)7-12/h5-7,10-11,16-17H,4,8-9H2,1-3H3
InChIKeyJKXNPNCLYCPDIU-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.88
Rot. Bonds8

About 1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol

1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol (PubChem CID 107716918) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
PubChem CID107716918
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
SMILESCCOCC(O)COc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C14H22FNO3/c1-4-18-8-11(17)9-19-12-5-6-13(10(2)16-3)14(15)7-12/h5-7,10-11,16-17H,4,8-9H2,1-3H3
InChIKeyJKXNPNCLYCPDIU-UHFFFAOYSA-N
XLogP1.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol
CID 167967220
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
CID 107716852
1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine
CID 107716594
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 107716497
1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
CID 107716952
1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716917
1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
CID 107718953
N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 107716470
1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
CID 107891171
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 107716703
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol (CID 107716918) is 1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol is CCOCC(O)COc1ccc(C(C)NC)c(F)c1.
What is the InChIKey of 1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
The InChIKey is JKXNPNCLYCPDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-4-18-8-11(17)9-19-12-5-6-13(10(2)16-3)14(15)7-12/h5-7,10-11,16-17H,4,8-9H2,1-3H3.
What are the key properties of 1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol has a molecular weight of 271.33 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 107716918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).