5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol

C11H16FNO2 — CID 63066726

IUPAC5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
SMILESCC(CO)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C11H16FNO2/c1-7(6-14)13-8(2)10-4-3-9(12)5-11(10)15/h3-5,7-8,13-15H,6H2,1-2H3
InChIKeyPNPUWQFNRGTZNU-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.56
Rot. Bonds4

About 5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol

5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol (PubChem CID 63066726) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
PubChem CID63066726
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
SMILESCC(CO)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C11H16FNO2/c1-7(6-14)13-8(2)10-4-3-9(12)5-11(10)15/h3-5,7-8,13-15H,6H2,1-2H3
InChIKeyPNPUWQFNRGTZNU-UHFFFAOYSA-N
XLogP1.56
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.56
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

5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
CID 63064953
5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
CID 63066523
(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103778517
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
5-fluoro-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 63066533
5-fluoro-2-[1-(pent-4-yn-2-ylamino)ethyl]phenol
CID 104582819
5-fluoro-2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]phenol
CID 104584218
5-fluoro-2-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]phenol
CID 63182312
5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 63067487
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol
CID 63065853
5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol
CID 81350079

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol (CID 63066726) is 5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol is CC(CO)NC(C)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol?
The InChIKey is PNPUWQFNRGTZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-7(6-14)13-8(2)10-4-3-9(12)5-11(10)15/h3-5,7-8,13-15H,6H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol?
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol has a molecular weight of 213.25 g/mol, XLogP of 1.56, 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-(1-hydroxypropan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 63066726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).