5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol

C16H18FNO — CID 55148602

IUPAC5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
SMILESCC(NC(C)c1ccc(F)cc1O)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-11(13-6-4-3-5-7-13)18-12(2)15-9-8-14(17)10-16(15)19/h3-12,18-19H,1-2H3
InChIKeyWUQYACQROYVIBZ-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.94
Rot. Bonds4

About 5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol

5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol (PubChem CID 55148602) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
PubChem CID55148602
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
SMILESCC(NC(C)c1ccc(F)cc1O)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-11(13-6-4-3-5-7-13)18-12(2)15-9-8-14(17)10-16(15)19/h3-12,18-19H,1-2H3
InChIKeyWUQYACQROYVIBZ-UHFFFAOYSA-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

4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
CID 81350470
5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol
CID 81350079
5-fluoro-2-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]phenol
CID 63182312
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
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
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol (CID 55148602) is 5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol is CC(NC(C)c1ccc(F)cc1O)c1ccccc1.
What is the InChIKey of 5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol?
The InChIKey is WUQYACQROYVIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11(13-6-4-3-5-7-13)18-12(2)15-9-8-14(17)10-16(15)19/h3-12,18-19H,1-2H3.
What are the key properties of 5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol?
5-fluoro-2-[1-(1-phenylethylamino)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 5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol is sourced from PubChem (CID 55148602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).