4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol

C12H18FNO2 — CID 102696874

IUPAC4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol
SMILESCOC(C)CNC(C)c1cc(F)ccc1O
InChIInChI=1S/C12H18FNO2/c1-8(16-3)7-14-9(2)11-6-10(13)4-5-12(11)15/h4-6,8-9,14-15H,7H2,1-3H3
InChIKeyZDJRDIJZURWGSH-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.22
Rot. Bonds5

About 4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol

4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol (PubChem CID 102696874) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol
PubChem CID102696874
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol
SMILESCOC(C)CNC(C)c1cc(F)ccc1O
InChIInChI=1S/C12H18FNO2/c1-8(16-3)7-14-9(2)11-6-10(13)4-5-12(11)15/h4-6,8-9,14-15H,7H2,1-3H3
InChIKeyZDJRDIJZURWGSH-UHFFFAOYSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.22
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-(2-methoxypropylamino)ethyl]-4-methylphenol
CID 102696431
4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol
CID 97050882
4-fluoro-2-[1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]phenol
CID 104581913
4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol
CID 102613622
2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol
CID 104582321
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356
1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 114075612
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-4-fluorophenol
CID 97050884
2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol
CID 63795320
4-fluoro-2-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]phenol
CID 113429342
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol (CID 102696874) is 4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol is COC(C)CNC(C)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol?
The InChIKey is ZDJRDIJZURWGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-8(16-3)7-14-9(2)11-6-10(13)4-5-12(11)15/h4-6,8-9,14-15H,7H2,1-3H3.
What are the key properties of 4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol?
4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol has a molecular weight of 227.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol is sourced from PubChem (CID 102696874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).