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

C16H17BrFN — CID 43480138

IUPAC1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(Br)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C16H17BrFN/c1-10-4-5-12(6-11(10)2)16(19-3)13-7-14(17)9-15(18)8-13/h4-9,16,19H,1-3H3
InChIKeyWGYZPWYOOYGTFC-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.51
Rot. Bonds3

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

1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 43480138) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
PubChem CID43480138
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(Br)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C16H17BrFN/c1-10-4-5-12(6-11(10)2)16(19-3)13-7-14(17)9-15(18)8-13/h4-9,16,19H,1-3H3
InChIKeyWGYZPWYOOYGTFC-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487402
1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 107945587
1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83045108
1-(3-bromophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55115762
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 66423844
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481
1-(4-bromo-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480168
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050
1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 81472374
1-(5-bromo-2-methylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016620
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 66426235
1-(4-bromo-3-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851527

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (CID 43480138) is 1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(F)cc(Br)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is WGYZPWYOOYGTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-10-4-5-12(6-11(10)2)16(19-3)13-7-14(17)9-15(18)8-13/h4-9,16,19H,1-3H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43480138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).