1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine

C15H15BrFN — CID 24774457

IUPAC1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1-c1ccc(Br)c(F)c1
InChIInChI=1S/C15H15BrFN/c1-18(2)10-12-5-3-4-6-13(12)11-7-8-14(16)15(17)9-11/h3-9H,10H2,1-2H3
InChIKeyCBSVNDKAQIDSLV-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.32
Rot. Bonds3

About 1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine

1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine (PubChem CID 24774457) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine
PubChem CID24774457
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1-c1ccc(Br)c(F)c1
InChIInChI=1S/C15H15BrFN/c1-18(2)10-12-5-3-4-6-13(12)11-7-8-14(16)15(17)9-11/h3-9H,10H2,1-2H3
InChIKeyCBSVNDKAQIDSLV-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine (CID 24774457) is 1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccccc1-c1ccc(Br)c(F)c1.
What is the InChIKey of 1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is CBSVNDKAQIDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-18(2)10-12-5-3-4-6-13(12)11-7-8-14(16)15(17)9-11/h3-9H,10H2,1-2H3.
What are the key properties of 1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine?
1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 308.19 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-fluorophenyl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 24774457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).