N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine

C17H20FNO2 — CID 43285597

IUPACN-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
SMILESCCNC(C)c1c(F)cccc1Oc1ccccc1OC
InChIInChI=1S/C17H20FNO2/c1-4-19-12(2)17-13(18)8-7-11-16(17)21-15-10-6-5-9-14(15)20-3/h5-12,19H,4H2,1-3H3
InChIKeyKAVLITCSWASVPJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.30
Rot. Bonds6

About N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine

N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine (PubChem CID 43285597) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
PubChem CID43285597
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
SMILESCCNC(C)c1c(F)cccc1Oc1ccccc1OC
InChIInChI=1S/C17H20FNO2/c1-4-19-12(2)17-13(18)8-7-11-16(17)21-15-10-6-5-9-14(15)20-3/h5-12,19H,4H2,1-3H3
InChIKeyKAVLITCSWASVPJ-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine
CID 82006421
N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788452
1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 43285545
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine
CID 43285741
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
4-[1-(2-fluoro-6-methoxyphenyl)ethylamino]butanenitrile
CID 75443103
1-[2-(3-bromo-5-fluorophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 81314227

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine (CID 43285597) is N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine is CCNC(C)c1c(F)cccc1Oc1ccccc1OC.
What is the InChIKey of N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine?
The InChIKey is KAVLITCSWASVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-4-19-12(2)17-13(18)8-7-11-16(17)21-15-10-6-5-9-14(15)20-3/h5-12,19H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine?
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine has a molecular weight of 289.35 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43285597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).