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

C17H20FNO2 — CID 81367660

IUPAC5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
SMILESCOc1ccc([C@H](C)NC(C)c2ccc(F)cc2O)cc1
InChIInChI=1S/C17H20FNO2/c1-11(13-4-7-15(21-3)8-5-13)19-12(2)16-9-6-14(18)10-17(16)20/h4-12,19-20H,1-3H3/t11-,12?/m0/s1
InChIKeyALMSMCNPZWZULZ-PXYINDEMSA-N
MW289.35 g/mol
LogP3.95
Rot. Bonds5

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

5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol (PubChem CID 81367660) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
PubChem CID81367660
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
SMILESCOc1ccc([C@H](C)NC(C)c2ccc(F)cc2O)cc1
InChIInChI=1S/C17H20FNO2/c1-11(13-4-7-15(21-3)8-5-13)19-12(2)16-9-6-14(18)10-17(16)20/h4-12,19-20H,1-3H3/t11-,12?/m0/s1
InChIKeyALMSMCNPZWZULZ-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

5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol
CID 81350079
(1S)-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367838
2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81351233
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol
CID 63065853
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766662
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367859
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82963889
2-[1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81368438

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol (CID 81367660) is 5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol is COc1ccc([C@H](C)NC(C)c2ccc(F)cc2O)cc1.
What is the InChIKey of 5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol?
The InChIKey is ALMSMCNPZWZULZ-PXYINDEMSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11(13-4-7-15(21-3)8-5-13)19-12(2)16-9-6-14(18)10-17(16)20/h4-12,19-20H,1-3H3/t11-,12?/m0/s1.
What are the key properties of 5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol?
5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol 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 5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol is sourced from PubChem (CID 81367660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).