2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride

C9H13ClFNO2 — CID 68743349

IUPAC2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride
SMILESCl.NCc1ccc(F)c(OCCO)c1
InChIInChI=1S/C9H12FNO2.ClH/c10-8-2-1-7(6-11)5-9(8)13-4-3-12;/h1-2,5,12H,3-4,6,11H2;1H
InChIKeyGSLDYYXBOZPIRZ-UHFFFAOYSA-N
MW221.66 g/mol
LogP1.08
Rot. Bonds4

About 2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride

2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride (PubChem CID 68743349) has the molecular formula C9H13ClFNO2 and a molecular weight of 221.66 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride
PubChem CID68743349
Molecular FormulaC9H13ClFNO2
Molecular Weight221.66 g/mol
Exact Mass221.06
IUPAC Name2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride
SMILESCl.NCc1ccc(F)c(OCCO)c1
InChIInChI=1S/C9H12FNO2.ClH/c10-8-2-1-7(6-11)5-9(8)13-4-3-12;/h1-2,5,12H,3-4,6,11H2;1H
InChIKeyGSLDYYXBOZPIRZ-UHFFFAOYSA-N
XLogP1.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
[5-(aminomethyl)-2-fluorophenyl] acetate
CID 174670603
[4-[2-(5-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 114671943
4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol
CID 107655616
[4-[3-(2-fluoro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 64856154
2-[2-(2,5-difluorophenoxy)ethoxy]ethanol
CID 63268776
[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 63269028
2-(2,3,4-trifluorophenoxy)ethanol
CID 117051245
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine
CID 64854022
[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 107686387
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride?
The IUPAC name of 2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride (CID 68743349) is 2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride is Cl.NCc1ccc(F)c(OCCO)c1.
What is the InChIKey of 2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride?
The InChIKey is GSLDYYXBOZPIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2.ClH/c10-8-2-1-7(6-11)5-9(8)13-4-3-12;/h1-2,5,12H,3-4,6,11H2;1H.
What are the key properties of 2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride?
2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride has a molecular weight of 221.66 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-fluorophenoxy]ethanol;hydrochloride is sourced from PubChem (CID 68743349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).