1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine

C15H14BrF2N — CID 107981875

IUPAC1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1F)c1cccc(C)c1Br
InChIInChI=1S/C15H14BrF2N/c1-9-4-3-5-11(14(9)16)15(19-2)12-8-10(17)6-7-13(12)18/h3-8,15,19H,1-2H3
InChIKeyCWWRPAXYQMNKCE-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.34
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine

1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine (PubChem CID 107981875) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
PubChem CID107981875
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1F)c1cccc(C)c1Br
InChIInChI=1S/C15H14BrF2N/c1-9-4-3-5-11(14(9)16)15(19-2)12-8-10(17)6-7-13(12)18/h3-8,15,19H,1-2H3
InChIKeyCWWRPAXYQMNKCE-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
CID 107983315
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989656
1-(2-bromo-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 107985443
1-(2-chloro-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylmethanamine
CID 105397270
1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107984776
1-(2,5-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43482919
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 79981647
[(2,5-difluorophenyl)-(2-iodo-3-methylphenyl)methyl]hydrazine
CID 114030552
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852431
1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477315
[(2-bromo-3-methylphenyl)-(2-fluorophenyl)methyl]hydrazine
CID 107985973

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine (CID 107981875) is 1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine is CNC(c1cc(F)ccc1F)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine?
The InChIKey is CWWRPAXYQMNKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-9-4-3-5-11(14(9)16)15(19-2)12-8-10(17)6-7-13(12)18/h3-8,15,19H,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine?
1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine has a molecular weight of 326.18 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 107981875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).