5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol

C13H18FNO2 — CID 63066355

IUPAC5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
SMILESCC(NCC1CCCO1)c1ccc(F)cc1O
InChIInChI=1S/C13H18FNO2/c1-9(15-8-11-3-2-6-17-11)12-5-4-10(14)7-13(12)16/h4-5,7,9,11,15-16H,2-3,6,8H2,1H3
InChIKeyCTJSTKHOGADAFO-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.36
Rot. Bonds4

About 5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol

5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol (PubChem CID 63066355) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
PubChem CID63066355
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
SMILESCC(NCC1CCCO1)c1ccc(F)cc1O
InChIInChI=1S/C13H18FNO2/c1-9(15-8-11-3-2-6-17-11)12-5-4-10(14)7-13(12)16/h4-5,7,9,11,15-16H,2-3,6,8H2,1H3
InChIKeyCTJSTKHOGADAFO-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.36
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-(oxan-2-ylmethylamino)ethyl]phenol
CID 55146692
2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
CID 63065844
5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol
CID 107417292
1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine
CID 139016017
5-fluoro-2-[1-(thian-2-ylmethylamino)ethyl]phenol
CID 80601318
2-(4-fluoro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 55038391
2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61048778
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 103915785
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 63318425
5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol
CID 43205737

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol (CID 63066355) is 5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol is CC(NCC1CCCO1)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol?
The InChIKey is CTJSTKHOGADAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(15-8-11-3-2-6-17-11)12-5-4-10(14)7-13(12)16/h4-5,7,9,11,15-16H,2-3,6,8H2,1H3.
What are the key properties of 5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol?
5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol has a molecular weight of 239.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol is sourced from PubChem (CID 63066355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).