3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol

C11H15F2NO2 — CID 104582778

IUPAC3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
SMILESCC(CO)NC(C)c1c(O)cc(F)cc1F
InChIInChI=1S/C11H15F2NO2/c1-6(5-15)14-7(2)11-9(13)3-8(12)4-10(11)16/h3-4,6-7,14-16H,5H2,1-2H3
InChIKeyJSCYQBGAUPCDIF-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.70
Rot. Bonds4

About 3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol

3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol (PubChem CID 104582778) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
PubChem CID104582778
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
SMILESCC(CO)NC(C)c1c(O)cc(F)cc1F
InChIInChI=1S/C11H15F2NO2/c1-6(5-15)14-7(2)11-9(13)3-8(12)4-10(11)16/h3-4,6-7,14-16H,5H2,1-2H3
InChIKeyJSCYQBGAUPCDIF-UHFFFAOYSA-N
XLogP1.70
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(ethylamino)ethyl]-3,5-difluorophenol
CID 104581572
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol
CID 104581898
2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol
CID 66513917
2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol
CID 115724755
2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride
CID 171253179
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
2-(2,4-difluoro-6-hydroxyphenyl)propanenitrile
CID 84768886
2-[(1R)-1-amino-3-methylbutyl]-3,5-difluorophenol;hydrochloride
CID 171256551
(2S)-2-[1-(3-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103788936
(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol
CID 114987014
2-[1-[1-(2,4-difluorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710599

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol?
The IUPAC name of 3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol (CID 104582778) is 3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol?
The canonical SMILES for 3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol is CC(CO)NC(C)c1c(O)cc(F)cc1F.
What is the InChIKey of 3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol?
The InChIKey is JSCYQBGAUPCDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-6(5-15)14-7(2)11-9(13)3-8(12)4-10(11)16/h3-4,6-7,14-16H,5H2,1-2H3.
What are the key properties of 3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol?
3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol has a molecular weight of 231.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 104582778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).