1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

C16H16BrF2N — CID 115797203

IUPAC1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C16H16BrF2N/c1-9-4-10(2)6-11(5-9)16(20-3)15-13(18)7-12(17)8-14(15)19/h4-8,16,20H,1-3H3
InChIKeyGQYMRPXWTZGSTM-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.65
Rot. Bonds3

About 1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 115797203) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID115797203
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C16H16BrF2N/c1-9-4-10(2)6-11(5-9)16(20-3)15-13(18)7-12(17)8-14(15)19/h4-8,16,20H,1-3H3
InChIKeyGQYMRPXWTZGSTM-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851692
1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883501
1-(4-bromo-2,6-difluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854935
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115796591
1-(4-bromo-2-fluorophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906456
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481
1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 115785773
1-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 106944481
[(3-bromo-5-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884654
1-(4-bromo-2,6-difluorophenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054286
1-(4-bromo-3-methylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883524
1-(3-bromo-5-methylphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 104851250

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (CID 115797203) is 1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(C)c1)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is GQYMRPXWTZGSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-9-4-10(2)6-11(5-9)16(20-3)15-13(18)7-12(17)8-14(15)19/h4-8,16,20H,1-3H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115797203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).