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

C16H18FNO — CID 81350470

IUPAC4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
SMILESCC(N[C@H](C)c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C16H18FNO/c1-11(13-6-4-3-5-7-13)18-12(2)15-10-14(17)8-9-16(15)19/h3-12,18-19H,1-2H3/t11-,12?/m1/s1
InChIKeyCYAKLAOOEDQXMZ-JHJMLUEUSA-N
MW259.32 g/mol
LogP3.94
Rot. Bonds4

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

4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol (PubChem CID 81350470) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
PubChem CID81350470
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
SMILESCC(N[C@H](C)c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C16H18FNO/c1-11(13-6-4-3-5-7-13)18-12(2)15-10-14(17)8-9-16(15)19/h3-12,18-19H,1-2H3/t11-,12?/m1/s1
InChIKeyCYAKLAOOEDQXMZ-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

5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
4-fluoro-2-(1-phenylethyl)phenol
CID 83382544
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81351233
2-[1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81368438
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-4-fluorophenol
CID 97050884
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356
4-fluoro-2-[hydroxy(phenyl)methyl]phenol
CID 83392868
5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol
CID 81350079

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol (CID 81350470) is 4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol is CC(N[C@H](C)c1ccccc1)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol?
The InChIKey is CYAKLAOOEDQXMZ-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11(13-6-4-3-5-7-13)18-12(2)15-10-14(17)8-9-16(15)19/h3-12,18-19H,1-2H3/t11-,12?/m1/s1.
What are the key properties of 4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol?
4-fluoro-2-[1-[[(1R)-1-phenylethyl]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 4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol is sourced from PubChem (CID 81350470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).