1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine

C16H16F3N — CID 115852895

IUPAC1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1F)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H16F3N/c1-9-4-6-12(17)11(8-9)16(20-3)14-13(18)7-5-10(2)15(14)19/h4-8,16,20H,1-3H3
InChIKeyJAEUKYYHDJCNTN-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.03
Rot. Bonds3

About 1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine

1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 115852895) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID115852895
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)ccc1F)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H16F3N/c1-9-4-6-12(17)11(8-9)16(20-3)14-13(18)7-5-10(2)15(14)19/h4-8,16,20H,1-3H3
InChIKeyJAEUKYYHDJCNTN-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302737
1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228
1-(2,5-dibromo-4-methylphenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82797769
(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852896
1-(2-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82823128
1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651
1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852683
1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 82797199
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55180207
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 55083404
1-(3-chloro-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82822300
1-(2-fluoro-5-methylphenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106792082

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine (CID 115852895) is 1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine is CNC(c1cc(C)ccc1F)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is JAEUKYYHDJCNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-9-4-6-12(17)11(8-9)16(20-3)14-13(18)7-5-10(2)15(14)19/h4-8,16,20H,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine?
1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115852895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).