1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine

C15H15BrFN — CID 66423844

IUPAC1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1cc(F)cc(Br)c1)c1ccccc1C
InChIInChI=1S/C15H15BrFN/c1-10-5-3-4-6-14(10)15(18-2)11-7-12(16)9-13(17)8-11/h3-9,15,18H,1-2H3
InChIKeyYALAOCJNWMBBLU-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.21
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine

1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine (PubChem CID 66423844) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
PubChem CID66423844
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1cc(F)cc(Br)c1)c1ccccc1C
InChIInChI=1S/C15H15BrFN/c1-10-5-3-4-6-14(10)15(18-2)11-7-12(16)9-13(17)8-11/h3-9,15,18H,1-2H3
InChIKeyYALAOCJNWMBBLU-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 66426235
1-(3-bromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 60819031
1-(3,5-dibromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114022874
1-(3-bromo-5-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480138
1-(5-bromo-2-methylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016620
1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 63502754
1-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65431988
1-(2,5-dibromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43482299
1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83045108
1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115795109
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094830
1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487402

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine (CID 66423844) is 1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine is CNC(c1cc(F)cc(Br)c1)c1ccccc1C.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine?
The InChIKey is YALAOCJNWMBBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-5-3-4-6-14(10)15(18-2)11-7-12(16)9-13(17)8-11/h3-9,15,18H,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine?
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine has a molecular weight of 308.19 g/mol, XLogP of 4.21, 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)-N-methyl-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 66423844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).