4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol

C15H15F2NO — CID 103947979

IUPAC4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
SMILESCC(NCc1cc(F)ccc1O)c1cccc(F)c1
InChIInChI=1S/C15H15F2NO/c1-10(11-3-2-4-13(16)7-11)18-9-12-8-14(17)5-6-15(12)19/h2-8,10,18-19H,9H2,1H3
InChIKeyALUJLLXQVSBFKS-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.52
Rot. Bonds4

About 4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol

4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol (PubChem CID 103947979) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
PubChem CID103947979
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
SMILESCC(NCc1cc(F)ccc1O)c1cccc(F)c1
InChIInChI=1S/C15H15F2NO/c1-10(11-3-2-4-13(16)7-11)18-9-12-8-14(17)5-6-15(12)19/h2-8,10,18-19H,9H2,1H3
InChIKeyALUJLLXQVSBFKS-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 107694502
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 107730910
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,3-diol
CID 43205914
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43182676
2-[[1-(4-bromophenyl)ethylamino]methyl]-4-fluorophenol
CID 103947939
2-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methylphenol
CID 103940654
2-[[1-(3-fluorophenyl)ethylamino]methyl]-5-methoxyphenol
CID 61262310
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365032
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
5-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28682658

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol (CID 103947979) is 4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol is CC(NCc1cc(F)ccc1O)c1cccc(F)c1.
What is the InChIKey of 4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol?
The InChIKey is ALUJLLXQVSBFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10(11-3-2-4-13(16)7-11)18-9-12-8-14(17)5-6-15(12)19/h2-8,10,18-19H,9H2,1H3.
What are the key properties of 4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol?
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]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 4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 103947979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).