4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol

C8H11FN2O — CID 130643013

IUPAC4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol
SMILESC[C@@H](N)c1cc(O)c(F)cc1N
InChIInChI=1S/C8H11FN2O/c1-4(10)5-2-8(12)6(9)3-7(5)11/h2-4,12H,10-11H2,1H3/t4-/m1/s1
InChIKeyJKTWLYRQSICULQ-SCSAIBSYSA-N
MW170.19 g/mol
LogP1.13
Rot. Bonds1

About 4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol

4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol (PubChem CID 130643013) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol.

Molecular Properties

Compound Name4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol
PubChem CID130643013
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol
SMILESC[C@@H](N)c1cc(O)c(F)cc1N
InChIInChI=1S/C8H11FN2O/c1-4(10)5-2-8(12)6(9)3-7(5)11/h2-4,12H,10-11H2,1H3/t4-/m1/s1
InChIKeyJKTWLYRQSICULQ-SCSAIBSYSA-N
XLogP1.13
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-aminoethyl]-4,5-difluorophenol
CID 55275252
2-[(1S)-1-aminoethyl]-4,6-difluorophenol
CID 55255860
2-[(1R)-1-aminoethyl]-4,6-difluorophenol
CID 130688365
4-[(1S)-1-aminoethyl]-2-fluoro-5-methylaniline
CID 130775695
5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol
CID 130770948
3-(1-aminoethyl)-2-fluoro-5-methylphenol
CID 117276714
4-[(1R)-1-aminopropyl]-2,5-difluorophenol
CID 55274209
4-(1-aminoethyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84778822
2-[(1S)-1-aminoethyl]-4-bromo-6-fluorophenol
CID 130713722
3-amino-5-(1-aminoethyl)benzene-1,2-diol
CID 130060617
4-amino-2-fluoro-5-[2-propan-2-yl-4-(trifluoromethyl)phenyl]phenol
CID 145448217
5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol
CID 117281266

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol?
The IUPAC name of 4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol (CID 130643013) is 4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol.
What is the SMILES notation for 4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol?
The canonical SMILES for 4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol is C[C@@H](N)c1cc(O)c(F)cc1N.
What is the InChIKey of 4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol?
The InChIKey is JKTWLYRQSICULQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-4(10)5-2-8(12)6(9)3-7(5)11/h2-4,12H,10-11H2,1H3/t4-/m1/s1.
What are the key properties of 4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol?
4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol has a molecular weight of 170.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol is sourced from PubChem (CID 130643013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).