2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol

C16H18FNO — CID 81347161

IUPAC2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
SMILESCC(N[C@H](C)c1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C16H18FNO/c1-11(13-7-9-14(17)10-8-13)18-12(2)15-5-3-4-6-16(15)19/h3-12,18-19H,1-2H3/t11-,12?/m1/s1
InChIKeyJREMCYIQAYFKEH-JHJMLUEUSA-N
MW259.32 g/mol
LogP3.94
Rot. Bonds4

About 2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol

2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol (PubChem CID 81347161) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
PubChem CID81347161
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
SMILESCC(N[C@H](C)c1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C16H18FNO/c1-11(13-7-9-14(17)10-8-13)18-12(2)15-5-3-4-6-16(15)19/h3-12,18-19H,1-2H3/t11-,12?/m1/s1
InChIKeyJREMCYIQAYFKEH-JHJMLUEUSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.94
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

2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43201977
4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
CID 81350470
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350627
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol
CID 43684152
5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol
CID 81350079
2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81351233
(1S)-1-(4-fluorophenyl)-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81348173
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol
CID 63065853
5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81367660

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol?
The IUPAC name of 2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol (CID 81347161) is 2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol?
The canonical SMILES for 2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol is CC(N[C@H](C)c1ccc(F)cc1)c1ccccc1O.
What is the InChIKey of 2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol?
The InChIKey is JREMCYIQAYFKEH-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11(13-7-9-14(17)10-8-13)18-12(2)15-5-3-4-6-16(15)19/h3-12,18-19H,1-2H3/t11-,12?/m1/s1.
What are the key properties of 2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol?
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol has a molecular weight of 259.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol is sourced from PubChem (CID 81347161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).