N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine

C15H13BrF3N — CID 67212329

IUPACN-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
SMILESFC(F)(F)c1ccc(Br)c(CNCc2ccccc2)c1
InChIInChI=1S/C15H13BrF3N/c16-14-7-6-13(15(17,18)19)8-12(14)10-20-9-11-4-2-1-3-5-11/h1-8,20H,9-10H2
InChIKeyRNDYTEIHMFPTMS-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.76
Rot. Bonds4

About N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine

N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine (PubChem CID 67212329) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
PubChem CID67212329
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC NameN-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
SMILESFC(F)(F)c1ccc(Br)c(CNCc2ccccc2)c1
InChIInChI=1S/C15H13BrF3N/c16-14-7-6-13(15(17,18)19)8-12(14)10-20-9-11-4-2-1-3-5-11/h1-8,20H,9-10H2
InChIKeyRNDYTEIHMFPTMS-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine (CID 67212329) is N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine is FC(F)(F)c1ccc(Br)c(CNCc2ccccc2)c1.
What is the InChIKey of N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
The InChIKey is RNDYTEIHMFPTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c16-14-7-6-13(15(17,18)19)8-12(14)10-20-9-11-4-2-1-3-5-11/h1-8,20H,9-10H2.
What are the key properties of N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine?
N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine has a molecular weight of 344.17 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 67212329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).