2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol

C15H15F2NO — CID 96934858

IUPAC2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@H](NCc1ccc(O)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO/c1-10(12-3-5-13(16)6-4-12)18-9-11-2-7-15(19)14(17)8-11/h2-8,10,18-19H,9H2,1H3/t10-/m0/s1
InChIKeyFHNAYTATDJGODE-JTQLQIEISA-N
MW263.29 g/mol
LogP3.52
Rot. Bonds4

About 2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol

2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol (PubChem CID 96934858) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
PubChem CID96934858
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@H](NCc1ccc(O)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO/c1-10(12-3-5-13(16)6-4-12)18-9-11-2-7-15(19)14(17)8-11/h2-8,10,18-19H,9H2,1H3/t10-/m0/s1
InChIKeyFHNAYTATDJGODE-JTQLQIEISA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
CID 43180801
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685896
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
5-[1-[(3,4-difluorophenyl)methylamino]ethyl]benzene-1,3-diol
CID 107706359
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
4-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685905
2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349588
(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol (CID 96934858) is 2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol is C[C@H](NCc1ccc(O)c(F)c1)c1ccc(F)cc1.
What is the InChIKey of 2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol?
The InChIKey is FHNAYTATDJGODE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10(12-3-5-13(16)6-4-12)18-9-11-2-7-15(19)14(17)8-11/h2-8,10,18-19H,9H2,1H3/t10-/m0/s1.
What are the key properties of 2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol?
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol has a molecular weight of 263.29 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 96934858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).