1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine

C15H15BrFN — CID 79747347

IUPAC1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H15BrFN/c1-10-4-3-5-11(8-10)15(18-2)12-6-7-14(17)13(16)9-12/h3-9,15,18H,1-2H3
InChIKeyCNFPFLCANDPQPG-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.21
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine

1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine (PubChem CID 79747347) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine
PubChem CID79747347
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H15BrFN/c1-10-4-3-5-11(8-10)15(18-2)12-6-7-14(17)13(16)9-12/h3-9,15,18H,1-2H3
InChIKeyCNFPFLCANDPQPG-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-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 60930098
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790289
2-bromo-4-[bromo-(3-methylphenyl)methyl]-1-fluorobenzene
CID 79742867
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 82810031
1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979866
1-(3-bromo-4-fluorophenyl)-1-(2-bromophenyl)-N-methylmethanamine
CID 79746439
1-(4-bromo-3-chlorophenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 81290682
N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 62965810
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43480217
1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115796591
N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
CID 115790405
1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 107950608

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine (CID 79747347) is 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine is CNC(c1cccc(C)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine?
The InChIKey is CNFPFLCANDPQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-4-3-5-11(8-10)15(18-2)12-6-7-14(17)13(16)9-12/h3-9,15,18H,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine?
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-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-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 79747347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).