4-(1-amino-2-methoxyethyl)-3-fluorophenol

C9H12FNO2 — CID 55273323

IUPAC4-(1-amino-2-methoxyethyl)-3-fluorophenol
SMILESCOCC(N)c1ccc(O)cc1F
InChIInChI=1S/C9H12FNO2/c1-13-5-9(11)7-3-2-6(12)4-8(7)10/h2-4,9,12H,5,11H2,1H3
InChIKeyRUJODVRTQAJZDJ-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.18
Rot. Bonds3

About 4-(1-amino-2-methoxyethyl)-3-fluorophenol

4-(1-amino-2-methoxyethyl)-3-fluorophenol (PubChem CID 55273323) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-(1-amino-2-methoxyethyl)-3-fluorophenol.

Molecular Properties

Compound Name4-(1-amino-2-methoxyethyl)-3-fluorophenol
PubChem CID55273323
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name4-(1-amino-2-methoxyethyl)-3-fluorophenol
SMILESCOCC(N)c1ccc(O)cc1F
InChIInChI=1S/C9H12FNO2/c1-13-5-9(11)7-3-2-6(12)4-8(7)10/h2-4,9,12H,5,11H2,1H3
InChIKeyRUJODVRTQAJZDJ-UHFFFAOYSA-N
XLogP1.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine
CID 112693311
4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol
CID 55268338
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
4-[(1S)-1-aminohexyl]-3-fluorophenol;hydrochloride
CID 171218697
4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol
CID 55292217
4-(1-amino-2-methylpropyl)-3-fluorophenol
CID 55282884
2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol
CID 55293424
4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-3-fluorophenol
CID 171266743
4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
CID 171199182
4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol
CID 171191642
4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methoxyethyl)-3-fluorophenol?
The IUPAC name of 4-(1-amino-2-methoxyethyl)-3-fluorophenol (CID 55273323) is 4-(1-amino-2-methoxyethyl)-3-fluorophenol.
What is the SMILES notation for 4-(1-amino-2-methoxyethyl)-3-fluorophenol?
The canonical SMILES for 4-(1-amino-2-methoxyethyl)-3-fluorophenol is COCC(N)c1ccc(O)cc1F.
What is the InChIKey of 4-(1-amino-2-methoxyethyl)-3-fluorophenol?
The InChIKey is RUJODVRTQAJZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-13-5-9(11)7-3-2-6(12)4-8(7)10/h2-4,9,12H,5,11H2,1H3.
What are the key properties of 4-(1-amino-2-methoxyethyl)-3-fluorophenol?
4-(1-amino-2-methoxyethyl)-3-fluorophenol has a molecular weight of 185.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methoxyethyl)-3-fluorophenol is sourced from PubChem (CID 55273323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).