4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol

C15H14BrF2NO — CID 81378841

IUPAC4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol
SMILESC[C@@H](NCc1cc(F)c(O)c(F)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrF2NO/c1-9(11-4-2-3-5-12(11)16)19-8-10-6-13(17)15(20)14(18)7-10/h2-7,9,19-20H,8H2,1H3/t9-/m1/s1
InChIKeyJIDYARILZCWXRJ-SECBINFHSA-N
MW342.18 g/mol
LogP4.28
Rot. Bonds4

About 4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol

4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol (PubChem CID 81378841) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol
PubChem CID81378841
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol
SMILESC[C@@H](NCc1cc(F)c(O)c(F)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrF2NO/c1-9(11-4-2-3-5-12(11)16)19-8-10-6-13(17)15(20)14(18)7-10/h2-7,9,19-20H,8H2,1H3/t9-/m1/s1
InChIKeyJIDYARILZCWXRJ-SECBINFHSA-N
XLogP4.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol?
The IUPAC name of 4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol (CID 81378841) is 4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol is C[C@@H](NCc1cc(F)c(O)c(F)c1)c1ccccc1Br.
What is the InChIKey of 4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol?
The InChIKey is JIDYARILZCWXRJ-SECBINFHSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-9(11-4-2-3-5-12(11)16)19-8-10-6-13(17)15(20)14(18)7-10/h2-7,9,19-20H,8H2,1H3/t9-/m1/s1.
What are the key properties of 4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol?
4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol has a molecular weight of 342.18 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol is sourced from PubChem (CID 81378841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).