5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol

C17H20FNO — CID 81350079

IUPAC5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol
SMILESCc1ccc([C@H](C)NC(C)c2ccc(F)cc2O)cc1
InChIInChI=1S/C17H20FNO/c1-11-4-6-14(7-5-11)12(2)19-13(3)16-9-8-15(18)10-17(16)20/h4-10,12-13,19-20H,1-3H3/t12-,13?/m0/s1
InChIKeyYNMKCJVTSGUISA-UEWDXFNNSA-N
MW273.35 g/mol
LogP4.25
Rot. Bonds4

About 5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol

5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol (PubChem CID 81350079) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol
PubChem CID81350079
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol
SMILESCc1ccc([C@H](C)NC(C)c2ccc(F)cc2O)cc1
InChIInChI=1S/C17H20FNO/c1-11-4-6-14(7-5-11)12(2)19-13(3)16-9-8-15(18)10-17(16)20/h4-10,12-13,19-20H,1-3H3/t12-,13?/m0/s1
InChIKeyYNMKCJVTSGUISA-UEWDXFNNSA-N
XLogP4.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.25
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-[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-bromophenyl)ethyl]amino]ethyl]-5-methylphenol
CID 81354100
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol
CID 63064633
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
CID 81350470
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
CID 63066523
5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
CID 63064953

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol (CID 81350079) is 5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol is Cc1ccc([C@H](C)NC(C)c2ccc(F)cc2O)cc1.
What is the InChIKey of 5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol?
The InChIKey is YNMKCJVTSGUISA-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-4-6-14(7-5-11)12(2)19-13(3)16-9-8-15(18)10-17(16)20/h4-10,12-13,19-20H,1-3H3/t12-,13?/m0/s1.
What are the key properties of 5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol?
5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol has a molecular weight of 273.35 g/mol, XLogP of 4.25, 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-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol is sourced from PubChem (CID 81350079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).