2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine

C18H23FN2O2 — CID 156647657

IUPAC2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine
SMILESCC(c1ccc(OCCN)cc1)c1cc(F)cc(OCCN)c1
InChIInChI=1S/C18H23FN2O2/c1-13(14-2-4-17(5-3-14)22-8-6-20)15-10-16(19)12-18(11-15)23-9-7-21/h2-5,10-13H,6-9,20-21H2,1H3
InChIKeyDWFBZZOHRNDXND-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.65
Rot. Bonds8

About 2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine

2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine (PubChem CID 156647657) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine
PubChem CID156647657
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine
SMILESCC(c1ccc(OCCN)cc1)c1cc(F)cc(OCCN)c1
InChIInChI=1S/C18H23FN2O2/c1-13(14-2-4-17(5-3-14)22-8-6-20)15-10-16(19)12-18(11-15)23-9-7-21/h2-5,10-13H,6-9,20-21H2,1H3
InChIKeyDWFBZZOHRNDXND-UHFFFAOYSA-N
XLogP2.65
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-difluorophenoxy)ethanamine;hydrochloride
CID 66980622
2-(6-propan-2-ylnaphthalen-2-yl)oxyethanamine
CID 123913682
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine
CID 70979658
2-[4-(2-methylpropyl)phenoxy]ethanamine
CID 96670599
(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
CID 80699771
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
1-(3-fluoro-5-pentoxyphenyl)ethanol
CID 91657933
(4-butoxyphenyl)-(3,5-difluorophenyl)methanol
CID 105093285
(1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol
CID 97294401
(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
CID 78960972

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine?
The IUPAC name of 2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine (CID 156647657) is 2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine.
What is the SMILES notation for 2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine?
The canonical SMILES for 2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine is CC(c1ccc(OCCN)cc1)c1cc(F)cc(OCCN)c1.
What is the InChIKey of 2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine?
The InChIKey is DWFBZZOHRNDXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-13(14-2-4-17(5-3-14)22-8-6-20)15-10-16(19)12-18(11-15)23-9-7-21/h2-5,10-13H,6-9,20-21H2,1H3.
What are the key properties of 2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine?
2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine has a molecular weight of 318.39 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[3-(2-aminoethoxy)-5-fluorophenyl]ethyl]phenoxy]ethanamine is sourced from PubChem (CID 156647657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).