1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine

C15H14Cl2FNO — CID 43485716

IUPAC1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1OC)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-19-15(14-11(16)4-3-5-12(14)17)10-8-9(18)6-7-13(10)20-2/h3-8,15,19H,1-2H3
InChIKeyAKOGRJYLQLHIFU-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.45
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine

1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine (PubChem CID 43485716) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
PubChem CID43485716
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1OC)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-19-15(14-11(16)4-3-5-12(14)17)10-8-9(18)6-7-13(10)20-2/h3-8,15,19H,1-2H3
InChIKeyAKOGRJYLQLHIFU-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-5-fluorophenyl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105397291
1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025001
1,3-dichloro-2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 63433354
1-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025147
1-(2-chloro-6-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482973
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 81267028
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 82769619
1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485696
1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43485651
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483201
1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966548
1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107946612

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine (CID 43485716) is 1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine is CNC(c1cc(F)ccc1OC)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is AKOGRJYLQLHIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-19-15(14-11(16)4-3-5-12(14)17)10-8-9(18)6-7-13(10)20-2/h3-8,15,19H,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
1-(2,6-dichlorophenyl)-1-(5-fluoro-2-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-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43485716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).