1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine

C16H18FNO2 — CID 116810918

IUPAC1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2c(OC)cccc2OC)c(F)c1
InChIInChI=1S/C16H18FNO2/c1-18-10-11-7-8-12(13(17)9-11)16-14(19-2)5-4-6-15(16)20-3/h4-9,18H,10H2,1-3H3
InChIKeyHIOYJJGWGMBWHY-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.23
Rot. Bonds5

About 1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine

1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine (PubChem CID 116810918) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine
PubChem CID116810918
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2c(OC)cccc2OC)c(F)c1
InChIInChI=1S/C16H18FNO2/c1-18-10-11-7-8-12(13(17)9-11)16-14(19-2)5-4-6-15(16)20-3/h4-9,18H,10H2,1-3H3
InChIKeyHIOYJJGWGMBWHY-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 116810937
1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine
CID 82795419
1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine
CID 81447979
1-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-methylmethanamine
CID 81447035
N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 81447834
4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
CID 116810904
N-[[3-fluoro-4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 82792350
1-[4-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54910277
1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 115484339
1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine
CID 63077723
N-[[3-fluoro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106681131
1-[4-(2,4-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 81446952

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine (CID 116810918) is 1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine is CNCc1ccc(-c2c(OC)cccc2OC)c(F)c1.
What is the InChIKey of 1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is HIOYJJGWGMBWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-18-10-11-7-8-12(13(17)9-11)16-14(19-2)5-4-6-15(16)20-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine?
1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 116810918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).