(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol

C8H11FN2O — CID 66513607

IUPAC(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
SMILESNc1cc([C@@H](N)CO)ccc1F
InChIInChI=1S/C8H11FN2O/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4,10-11H2/t8-/m0/s1
InChIKeyYKPKIYZOADDYFN-QMMMGPOBSA-N
MW170.19 g/mol
LogP0.40
Rot. Bonds2

About (2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol

(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol (PubChem CID 66513607) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
PubChem CID66513607
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
SMILESNc1cc([C@@H](N)CO)ccc1F
InChIInChI=1S/C8H11FN2O/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4,10-11H2/t8-/m0/s1
InChIKeyYKPKIYZOADDYFN-QMMMGPOBSA-N
XLogP0.40
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.40
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

2-amino-2-(4-amino-3-fluorophenyl)ethanol
CID 55283111
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
CID 66514177
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol
CID 55273327
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
(2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol
CID 66515738
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol
CID 131128793
1-(3-amino-4-fluorophenyl)butane-1,2,4-triol
CID 171872014
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol (CID 66513607) is (2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol is Nc1cc([C@@H](N)CO)ccc1F.
What is the InChIKey of (2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol?
The InChIKey is YKPKIYZOADDYFN-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11FN2O/c9-6-2-1-5(3-7(6)10)8(11)4-12/h1-3,8,12H,4,10-11H2/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol?
(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol has a molecular weight of 170.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol is sourced from PubChem (CID 66513607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).