1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine

C16H16F3NO — CID 107513669

IUPAC1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1F)c1c(F)cccc1OC
InChIInChI=1S/C16H16F3NO/c1-9-7-8-10(15(19)14(9)18)16(20-2)13-11(17)5-4-6-12(13)21-3/h4-8,16,20H,1-3H3
InChIKeyVGNYHHXXKHZKSG-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.73
Rot. Bonds4

About 1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine

1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine (PubChem CID 107513669) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
PubChem CID107513669
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1F)c1c(F)cccc1OC
InChIInChI=1S/C16H16F3NO/c1-9-7-8-10(15(19)14(9)18)16(20-2)13-11(17)5-4-6-12(13)21-3/h4-8,16,20H,1-3H3
InChIKeyVGNYHHXXKHZKSG-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.73
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-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513966
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 65432845
1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963769
[(2,3-difluoro-4-methylphenyl)-(2,6-difluorophenyl)methyl]hydrazine
CID 107516449
[(2-fluoro-6-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105252432
1-(2-bromo-6-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 114886958
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 82808536
1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025001
1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 65434197
1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105024844

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine (CID 107513669) is 1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(F)c1F)c1c(F)cccc1OC.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine?
The InChIKey is VGNYHHXXKHZKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-9-7-8-10(15(19)14(9)18)16(20-2)13-11(17)5-4-6-12(13)21-3/h4-8,16,20H,1-3H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine?
1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 107513669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).