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

C16H16BrF2N — CID 114330491

IUPAC1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Br)c(C)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H16BrF2N/c1-9-6-11(7-10(2)15(9)17)16(20-3)13-5-4-12(18)8-14(13)19/h4-8,16,20H,1-3H3
InChIKeyIGRFUJNQWMTDPU-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.65
Rot. Bonds3

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

1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine (PubChem CID 114330491) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
PubChem CID114330491
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Br)c(C)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H16BrF2N/c1-9-6-11(7-10(2)15(9)17)16(20-3)13-5-4-12(18)8-14(13)19/h4-8,16,20H,1-3H3
InChIKeyIGRFUJNQWMTDPU-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-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481266
1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 114906490
1-(4-bromo-2-fluorophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906456
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
1-(2,4-dibromophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107945698
1-(4-bromo-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480168
1-(2-bromo-4-chlorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107987368
1-(4-bromo-2-methoxyphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 115368891
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
1-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143
1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 43483072
1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484068

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine (CID 114330491) is 1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine is CNC(c1cc(C)c(Br)c(C)c1)c1ccc(F)cc1F.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The InChIKey is IGRFUJNQWMTDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-9-6-11(7-10(2)15(9)17)16(20-3)13-5-4-12(18)8-14(13)19/h4-8,16,20H,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-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-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 114330491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).