1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine

C15H14Cl2FNO — CID 105025001

IUPAC1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1F)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-19-15(13-10(16)6-4-7-11(13)17)9-5-3-8-12(20-2)14(9)18/h3-8,15,19H,1-2H3
InChIKeyXOIIFTVIVHDWOL-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.45
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine

1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine (PubChem CID 105025001) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
PubChem CID105025001
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1F)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-19-15(13-10(16)6-4-7-11(13)17)9-5-3-8-12(20-2)14(9)18/h3-8,15,19H,1-2H3
InChIKeyXOIIFTVIVHDWOL-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025147
1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485716
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
[(2-chloro-6-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329251
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 82807584
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807492
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105025159
1-(2-chloro-5-fluorophenyl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105397291
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104805121
1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 107976936
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 82808536

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine (CID 105025001) is 1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine is CNC(c1cccc(OC)c1F)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is XOIIFTVIVHDWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-19-15(13-10(16)6-4-7-11(13)17)9-5-3-8-12(20-2)14(9)18/h3-8,15,19H,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 314.19 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105025001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).