2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol

C18H22FNO — CID 63065853

IUPAC2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol
SMILESCCc1ccc(C(C)NC(C)c2ccc(F)cc2O)cc1
InChIInChI=1S/C18H22FNO/c1-4-14-5-7-15(8-6-14)12(2)20-13(3)17-10-9-16(19)11-18(17)21/h5-13,20-21H,4H2,1-3H3
InChIKeyOSZZKBLVWBFKMU-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.51
Rot. Bonds5

About 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol

2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol (PubChem CID 63065853) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol
PubChem CID63065853
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol
SMILESCCc1ccc(C(C)NC(C)c2ccc(F)cc2O)cc1
InChIInChI=1S/C18H22FNO/c1-4-14-5-7-15(8-6-14)12(2)20-13(3)17-10-9-16(19)11-18(17)21/h5-13,20-21H,4H2,1-3H3
InChIKeyOSZZKBLVWBFKMU-UHFFFAOYSA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.51
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-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol
CID 81350079
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol
CID 43684152
5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81367660
5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
CID 63066523
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
CID 63064953
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
5-fluoro-2-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]phenol
CID 63182312
4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
CID 81350470

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol (CID 63065853) is 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol is CCc1ccc(C(C)NC(C)c2ccc(F)cc2O)cc1.
What is the InChIKey of 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol?
The InChIKey is OSZZKBLVWBFKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-14-5-7-15(8-6-14)12(2)20-13(3)17-10-9-16(19)11-18(17)21/h5-13,20-21H,4H2,1-3H3.
What are the key properties of 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol?
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol has a molecular weight of 287.38 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol is sourced from PubChem (CID 63065853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).