2-(4-ethoxy-3-fluorophenoxy)ethanamine

C10H14FNO2 — CID 96670711

IUPAC2-(4-ethoxy-3-fluorophenoxy)ethanamine
SMILESCCOc1ccc(OCCN)cc1F
InChIInChI=1S/C10H14FNO2/c1-2-13-10-4-3-8(7-9(10)11)14-6-5-12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyQZUWELUTRKGQES-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.56
Rot. Bonds5

About 2-(4-ethoxy-3-fluorophenoxy)ethanamine

2-(4-ethoxy-3-fluorophenoxy)ethanamine (PubChem CID 96670711) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-(4-ethoxy-3-fluorophenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-ethoxy-3-fluorophenoxy)ethanamine
PubChem CID96670711
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-(4-ethoxy-3-fluorophenoxy)ethanamine
SMILESCCOc1ccc(OCCN)cc1F
InChIInChI=1S/C10H14FNO2/c1-2-13-10-4-3-8(7-9(10)11)14-6-5-12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyQZUWELUTRKGQES-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-ethoxyphenoxy)ethanamine
CID 96671591
2-(4-fluoro-3-methoxyphenoxy)ethanamine
CID 83697045
3-(3-chloro-4-ethoxyphenoxy)propan-1-amine
CID 98783905
2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene
CID 69031311
1-ethoxy-2-fluoro-4-iodobenzene
CID 50998221
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 95447001
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-fluorophenoxy)ethanamine?
The IUPAC name of 2-(4-ethoxy-3-fluorophenoxy)ethanamine (CID 96670711) is 2-(4-ethoxy-3-fluorophenoxy)ethanamine.
What is the SMILES notation for 2-(4-ethoxy-3-fluorophenoxy)ethanamine?
The canonical SMILES for 2-(4-ethoxy-3-fluorophenoxy)ethanamine is CCOc1ccc(OCCN)cc1F.
What is the InChIKey of 2-(4-ethoxy-3-fluorophenoxy)ethanamine?
The InChIKey is QZUWELUTRKGQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-2-13-10-4-3-8(7-9(10)11)14-6-5-12/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 2-(4-ethoxy-3-fluorophenoxy)ethanamine?
2-(4-ethoxy-3-fluorophenoxy)ethanamine has a molecular weight of 199.22 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-fluorophenoxy)ethanamine is sourced from PubChem (CID 96670711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).