1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine

C16H17F2NO — CID 61063803

IUPAC1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2NO/c1-19-15(16-13(17)7-4-8-14(16)18)10-11-5-3-6-12(9-11)20-2/h3-9,15,19H,10H2,1-2H3
InChIKeyHJTWDNMLHUQXJW-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.48
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine

1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 61063803) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
PubChem CID61063803
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2NO/c1-19-15(16-13(17)7-4-8-14(16)18)10-11-5-3-6-12(9-11)20-2/h3-9,15,19H,10H2,1-2H3
InChIKeyHJTWDNMLHUQXJW-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79516326
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 82772035
[1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295289
1-(2-bromo-3,4-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107539154
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61066458
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329
2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 79217018
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105398845
1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43561440
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315
2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61496504
1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107988818

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine (CID 61063803) is 1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine is CNC(Cc1cccc(OC)c1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is HJTWDNMLHUQXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-19-15(16-13(17)7-4-8-14(16)18)10-11-5-3-6-12(9-11)20-2/h3-9,15,19H,10H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine?
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 61063803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).