2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol

C17H20FNO2 — CID 81351233

IUPAC2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO2/c1-11(13-4-6-14(18)7-5-13)19-12(2)16-10-15(21-3)8-9-17(16)20/h4-12,19-20H,1-3H3/t11-,12?/m0/s1
InChIKeyKNLOQMIBPZDQRL-PXYINDEMSA-N
MW289.35 g/mol
LogP3.95
Rot. Bonds5

About 2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol

2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol (PubChem CID 81351233) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
PubChem CID81351233
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO2/c1-11(13-4-6-14(18)7-5-13)19-12(2)16-10-15(21-3)8-9-17(16)20/h4-12,19-20H,1-3H3/t11-,12?/m0/s1
InChIKeyKNLOQMIBPZDQRL-PXYINDEMSA-N
XLogP3.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81368438
5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81367660
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766662
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
CID 81350470
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
(1S)-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367838
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
2-[1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]ethyl]-4-methoxyphenol
CID 43737447
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]propanamide
CID 43545388
(1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347856

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol (CID 81351233) is 2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)N[C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol?
The InChIKey is KNLOQMIBPZDQRL-PXYINDEMSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11(13-4-6-14(18)7-5-13)19-12(2)16-10-15(21-3)8-9-17(16)20/h4-12,19-20H,1-3H3/t11-,12?/m0/s1.
What are the key properties of 2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol?
2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol has a molecular weight of 289.35 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol is sourced from PubChem (CID 81351233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).