(2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol

C9H13FN2O — CID 66513540

IUPAC(2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol
SMILESCc1cc([C@@H](N)CO)c(F)cc1N
InChIInChI=1S/C9H13FN2O/c1-5-2-6(9(12)4-13)7(10)3-8(5)11/h2-3,9,13H,4,11-12H2,1H3/t9-/m0/s1
InChIKeyHNBWXUDCHXWYQR-VIFPVBQESA-N
MW184.21 g/mol
LogP0.71
Rot. Bonds2

About (2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol

(2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol (PubChem CID 66513540) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol
PubChem CID66513540
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name(2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol
SMILESCc1cc([C@@H](N)CO)c(F)cc1N
InChIInChI=1S/C9H13FN2O/c1-5-2-6(9(12)4-13)7(10)3-8(5)11/h2-3,9,13H,4,11-12H2,1H3/t9-/m0/s1
InChIKeyHNBWXUDCHXWYQR-VIFPVBQESA-N
XLogP0.71
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.71
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-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769631
2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol
CID 117302199
(1S)-1-(2-amino-4-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 130739605
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
2-amino-2-(3,5-difluoro-2,4-dimethylphenyl)ethanol
CID 84776170
2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol
CID 126984289
3-(4-amino-2-fluoro-5-methylphenyl)-2,3-dihydroxypropanoic acid
CID 170823988
2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol
CID 84711161
3-(4-amino-2-fluoro-5-methylphenyl)-2,3-dihydroxypropanenitrile
CID 171870251

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol (CID 66513540) is (2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol is Cc1cc([C@@H](N)CO)c(F)cc1N.
What is the InChIKey of (2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol?
The InChIKey is HNBWXUDCHXWYQR-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13FN2O/c1-5-2-6(9(12)4-13)7(10)3-8(5)11/h2-3,9,13H,4,11-12H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol?
(2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol has a molecular weight of 184.21 g/mol, XLogP of 0.71, 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-(4-amino-2-fluoro-5-methylphenyl)ethanol is sourced from PubChem (CID 66513540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).