2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol

C15H15BrFNO — CID 55025832

IUPAC2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
SMILESCC(NCc1ccc(O)c(Br)c1)c1ccccc1F
InChIInChI=1S/C15H15BrFNO/c1-10(12-4-2-3-5-14(12)17)18-9-11-6-7-15(19)13(16)8-11/h2-8,10,18-19H,9H2,1H3
InChIKeyWKXOWFHPTOYDBF-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.14
Rot. Bonds4

About 2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol

2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol (PubChem CID 55025832) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
PubChem CID55025832
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
SMILESCC(NCc1ccc(O)c(Br)c1)c1ccccc1F
InChIInChI=1S/C15H15BrFNO/c1-10(12-4-2-3-5-14(12)17)18-9-11-6-7-15(19)13(16)8-11/h2-8,10,18-19H,9H2,1H3
InChIKeyWKXOWFHPTOYDBF-UHFFFAOYSA-N
XLogP4.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 60664100
2-bromo-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
CID 81375588
2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 81351567
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 43221213
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
4-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685905
1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051050
2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 81353451
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379771
(1S)-1-(2-bromophenyl)-N-[(3,4-dibromophenyl)methyl]ethanamine
CID 104865453
2-bromo-4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]phenol
CID 60669278

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol (CID 55025832) is 2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol is CC(NCc1ccc(O)c(Br)c1)c1ccccc1F.
What is the InChIKey of 2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol?
The InChIKey is WKXOWFHPTOYDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(12-4-2-3-5-14(12)17)18-9-11-6-7-15(19)13(16)8-11/h2-8,10,18-19H,9H2,1H3.
What are the key properties of 2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol?
2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol has a molecular weight of 324.19 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 55025832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).