2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline

C8H10BrFN2 — CID 131118932

IUPAC2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline
SMILESC[C@@H](N)c1cc(F)cc(Br)c1N
InChIInChI=1S/C8H10BrFN2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-4H,11-12H2,1H3/t4-/m1/s1
InChIKeyJEHALFXJVARHKO-SCSAIBSYSA-N
MW233.08 g/mol
LogP2.19
Rot. Bonds1

About 2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline

2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline (PubChem CID 131118932) has the molecular formula C8H10BrFN2 and a molecular weight of 233.08 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline
PubChem CID131118932
Molecular FormulaC8H10BrFN2
Molecular Weight233.08 g/mol
Exact Mass232.00
IUPAC Name2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline
SMILESC[C@@H](N)c1cc(F)cc(Br)c1N
InChIInChI=1S/C8H10BrFN2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-4H,11-12H2,1H3/t4-/m1/s1
InChIKeyJEHALFXJVARHKO-SCSAIBSYSA-N
XLogP2.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
2-bromo-4-fluoro-6-methylaniline
CID 2773378
1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine
CID 133059607
2-[(1S)-1-aminoethyl]-4,6-difluorophenol
CID 55255860
1-(3-bromo-2,5-difluorophenyl)ethanol
CID 14621022
2-[(1R)-1-aminoethyl]-4,6-difluorophenol
CID 130688365
(1R)-1-(1-bromo-3-chloro-7-fluoroisoquinolin-5-yl)ethanamine
CID 178041098
1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine
CID 65440930
2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol
CID 84698226
1-(3-bromo-5-fluoro-2-methylphenyl)ethanol
CID 84696341
(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine
CID 131093124
(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine
CID 122237447

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline (CID 131118932) is 2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline is C[C@@H](N)c1cc(F)cc(Br)c1N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline?
The InChIKey is JEHALFXJVARHKO-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H10BrFN2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-4H,11-12H2,1H3/t4-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline?
2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline has a molecular weight of 233.08 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline is sourced from PubChem (CID 131118932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).