1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol

C11H17FN2O — CID 13355733

IUPAC1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H17FN2O/c1-7(2)14-6-11(15)8-3-4-10(13)9(12)5-8/h3-5,7,11,14-15H,6,13H2,1-2H3
InChIKeyOQIWIVRZOPOGEF-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.44
Rot. Bonds4

About 1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol

1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 13355733) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
PubChem CID13355733
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H17FN2O/c1-7(2)14-6-11(15)8-3-4-10(13)9(12)5-8/h3-5,7,11,14-15H,6,13H2,1-2H3
InChIKeyOQIWIVRZOPOGEF-UHFFFAOYSA-N
XLogP1.44
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-3-fluorophenyl)-2-(ethylamino)ethanol
CID 13355738
1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 81442005
1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 112512391
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
2-fluoro-4-[(1S)-1-(2-methylpropylamino)ethyl]aniline
CID 28964039
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
1-(3,4-difluorophenyl)-2-(heptan-2-ylamino)ethanol
CID 60980975
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
1-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 172687995
1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 83240387

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol (CID 13355733) is 1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1ccc(N)c(F)c1.
What is the InChIKey of 1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is OQIWIVRZOPOGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-7(2)14-6-11(15)8-3-4-10(13)9(12)5-8/h3-5,7,11,14-15H,6,13H2,1-2H3.
What are the key properties of 1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 212.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-fluorophenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 13355733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).