5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol

C13H18FNO2 — CID 66006234

IUPAC5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol
SMILESCC(NCC1CC(O)C1)c1ccc(F)cc1O
InChIInChI=1S/C13H18FNO2/c1-8(15-7-9-4-11(16)5-9)12-3-2-10(14)6-13(12)17/h2-3,6,8-9,11,15-17H,4-5,7H2,1H3
InChIKeyLHYPEMZTFMPBCY-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.95
Rot. Bonds4

About 5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol

5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol (PubChem CID 66006234) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol
PubChem CID66006234
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol
SMILESCC(NCC1CC(O)C1)c1ccc(F)cc1O
InChIInChI=1S/C13H18FNO2/c1-8(15-7-9-4-11(16)5-9)12-3-2-10(14)6-13(12)17/h2-3,6,8-9,11,15-17H,4-5,7H2,1H3
InChIKeyLHYPEMZTFMPBCY-UHFFFAOYSA-N
XLogP1.95
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.95
H-Bond Donors ≤ 53
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-(cyclohexylmethylamino)ethyl]-5-fluorophenol
CID 63065844
5-fluoro-2-[1-[(2-methylcyclopentyl)methylamino]ethyl]phenol
CID 107417292
5-fluoro-2-[1-(thian-2-ylmethylamino)ethyl]phenol
CID 80601318
5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
CID 63066355
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol
CID 55146692
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
CID 115358531
5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83142009
5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
CID 55145915
1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 63318425

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol (CID 66006234) is 5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol is CC(NCC1CC(O)C1)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol?
The InChIKey is LHYPEMZTFMPBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-8(15-7-9-4-11(16)5-9)12-3-2-10(14)6-13(12)17/h2-3,6,8-9,11,15-17H,4-5,7H2,1H3.
What are the key properties of 5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol?
5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol has a molecular weight of 239.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(3-hydroxycyclobutyl)methylamino]ethyl]phenol is sourced from PubChem (CID 66006234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).