2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol

C8H9BrClNO — CID 130783623

IUPAC2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol
SMILESC[C@H](N)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C8H9BrClNO/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-4,12H,11H2,1H3/t4-/m0/s1
InChIKeyGEVWPFPWSITIJQ-BYPYZUCNSA-N
MW250.52 g/mol
LogP2.83
Rot. Bonds1

About 2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol

2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol (PubChem CID 130783623) has the molecular formula C8H9BrClNO and a molecular weight of 250.52 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol
PubChem CID130783623
Molecular FormulaC8H9BrClNO
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC Name2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol
SMILESC[C@H](N)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C8H9BrClNO/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-4,12H,11H2,1H3/t4-/m0/s1
InChIKeyGEVWPFPWSITIJQ-BYPYZUCNSA-N
XLogP2.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-amino-2-methylpropyl]-6-bromo-4-chlorophenol
CID 130611692
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol
CID 130664393
2-[(1S)-1-aminoethyl]-4,6-dichlorophenol;hydrochloride
CID 171217209
2-[(1R)-1-amino-2-fluoroethyl]-6-bromo-4-chlorophenol;hydrochloride
CID 171253706
2-[(R)-amino(cyclohexyl)methyl]-6-bromo-4-chlorophenol
CID 171257056
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-bromo-4-chlorophenol
CID 131620451
2-[(S)-amino(cyclohexyl)methyl]-6-bromo-4-chlorophenol;hydrochloride
CID 171253713
2,6-dibromo-4-chlorophenol
CID 21394
2-(1-amino-3-methylperoxypropyl)-6-bromo-4-chlorophenol
CID 22088841
2-bromo-4-chloro-6-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171298156
2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol
CID 83904589
2-[(1R)-1-aminoethyl]-4-bromo-6-methylphenol
CID 130722387

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol?
The IUPAC name of 2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol (CID 130783623) is 2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol is C[C@H](N)c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol?
The InChIKey is GEVWPFPWSITIJQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H9BrClNO/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-4,12H,11H2,1H3/t4-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol?
2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol has a molecular weight of 250.52 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-6-bromo-4-chlorophenol is sourced from PubChem (CID 130783623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).