1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine

C17H20FNO — CID 43285066

IUPAC1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1OC(C)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-12(19-3)17-15(18)10-7-11-16(17)20-13(2)14-8-5-4-6-9-14/h4-13,19H,1-3H3
InChIKeyZFSKWHHXMLXNDV-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.25
Rot. Bonds5

About 1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine

1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine (PubChem CID 43285066) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine
PubChem CID43285066
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1OC(C)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-12(19-3)17-15(18)10-7-11-16(17)20-13(2)14-8-5-4-6-9-14/h4-13,19H,1-3H3
InChIKeyZFSKWHHXMLXNDV-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine
CID 66277200
1-[2-fluoro-6-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285104
1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 43285076
1-fluoro-2-nitro-3-(1-phenylethoxy)benzene
CID 62664890
1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285412
3-fluoro-2-(1-phenylethoxy)benzoic acid
CID 55101618
1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285267
1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine
CID 43286140
1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 103283997
1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine
CID 62074641
1-[3-bromo-4-(1-phenylethoxy)phenyl]-N-methylethanamine
CID 62910673
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine (CID 43285066) is 1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1OC(C)c1ccccc1.
What is the InChIKey of 1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine?
The InChIKey is ZFSKWHHXMLXNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12(19-3)17-15(18)10-7-11-16(17)20-13(2)14-8-5-4-6-9-14/h4-13,19H,1-3H3.
What are the key properties of 1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine?
1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 43285066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).