1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine

C16H18FNO2 — CID 43285605

IUPAC1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2ccccc2OC)c(F)c1
InChIInChI=1S/C16H18FNO2/c1-11(18-2)12-8-9-14(13(17)10-12)20-16-7-5-4-6-15(16)19-3/h4-11,18H,1-3H3
InChIKeyKODMFZAUAGXYKY-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.91
Rot. Bonds5

About 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine

1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine (PubChem CID 43285605) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
PubChem CID43285605
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2ccccc2OC)c(F)c1
InChIInChI=1S/C16H18FNO2/c1-11(18-2)12-8-9-14(13(17)10-12)20-16-7-5-4-6-15(16)19-3/h4-11,18H,1-3H3
InChIKeyKODMFZAUAGXYKY-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-(2-nitrophenoxy)phenyl]-N-methylethanamine
CID 61032294
1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 60966128
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113
1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448
1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 43285499
(1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine
CID 130783775
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285582
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-1-amine
CID 79089662

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine (CID 43285605) is 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(Oc2ccccc2OC)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine?
The InChIKey is KODMFZAUAGXYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(18-2)12-8-9-14(13(17)10-12)20-16-7-5-4-6-15(16)19-3/h4-11,18H,1-3H3.
What are the key properties of 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine?
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 43285605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).