N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine

C16H15BrF3NO — CID 22105637

IUPACN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C16H15BrF3NO/c17-14-6-7-15(22-10-12-4-2-1-3-5-12)13(8-14)9-21-11-16(18,19)20/h1-8,21H,9-11H2
InChIKeySDMWCGQKKXXFRG-UHFFFAOYSA-N
MW374.20 g/mol
LogP4.68
Rot. Bonds6

About N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine

N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 22105637) has the molecular formula C16H15BrF3NO and a molecular weight of 374.20 g/mol. Its IUPAC name is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine
PubChem CID22105637
Molecular FormulaC16H15BrF3NO
Molecular Weight374.20 g/mol
Exact Mass373.03
IUPAC NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C16H15BrF3NO/c17-14-6-7-15(22-10-12-4-2-1-3-5-12)13(8-14)9-21-11-16(18,19)20/h1-8,21H,9-11H2
InChIKeySDMWCGQKKXXFRG-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine (CID 22105637) is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is SDMWCGQKKXXFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3NO/c17-14-6-7-15(22-10-12-4-2-1-3-5-12)13(8-14)9-21-11-16(18,19)20/h1-8,21H,9-11H2.
What are the key properties of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine?
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 374.20 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 22105637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).