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

C16H18FNO — CID 43285499

IUPAC1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccc(C)c2)c(F)c1
InChIInChI=1S/C16H18FNO/c1-11-5-4-6-14(9-11)19-16-8-7-13(10-15(16)17)12(2)18-3/h4-10,12,18H,1-3H3
InChIKeyABVKFIOOHMQCPE-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.21
Rot. Bonds4

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

1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine (PubChem CID 43285499) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
PubChem CID43285499
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccc(C)c2)c(F)c1
InChIInChI=1S/C16H18FNO/c1-11-5-4-6-14(9-11)19-16-8-7-13(10-15(16)17)12(2)18-3/h4-10,12,18H,1-3H3
InChIKeyABVKFIOOHMQCPE-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285582
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113
1-[3-chloro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 62912068
1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 43189188
1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine
CID 63534051
1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285262
1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 60966128
4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene
CID 107087025
1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]-N-methylethanamine
CID 63878644
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 18200818

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine (CID 43285499) is 1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(Oc2cccc(C)c2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine?
The InChIKey is ABVKFIOOHMQCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-5-4-6-14(9-11)19-16-8-7-13(10-15(16)17)12(2)18-3/h4-10,12,18H,1-3H3.
What are the key properties of 1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine?
1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine has a molecular weight of 259.32 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 43285499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).