2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol

C8H9BrFNO — CID 130885199

IUPAC2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol
SMILESC[C@@H](N)c1c(Br)ccc(F)c1O
InChIInChI=1S/C8H9BrFNO/c1-4(11)7-5(9)2-3-6(10)8(7)12/h2-4,12H,11H2,1H3/t4-/m1/s1
InChIKeyLIFCEKBHSHBNLK-SCSAIBSYSA-N
MW234.07 g/mol
LogP2.31
Rot. Bonds1

About 2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol

2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol (PubChem CID 130885199) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol
PubChem CID130885199
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol
SMILESC[C@@H](N)c1c(Br)ccc(F)c1O
InChIInChI=1S/C8H9BrFNO/c1-4(11)7-5(9)2-3-6(10)8(7)12/h2-4,12H,11H2,1H3/t4-/m1/s1
InChIKeyLIFCEKBHSHBNLK-SCSAIBSYSA-N
XLogP2.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-(difluoromethyl)-6-fluorophenol
CID 130987254
2-[(1R)-1-aminobutyl]-3-bromo-6-fluorophenol
CID 130647359
6-amino-2-[(1R)-1-aminoethyl]-3-bromophenol;hydrochloride
CID 171256402
1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine
CID 130002531
2-[(1S)-1-amino-3-hydroxypropyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253035
2-(1-aminoethyl)-4-bromo-3-fluorophenol
CID 84697321
2-[(S)-amino(cyclopentyl)methyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253038
3-bromo-6-fluoro-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171299955
2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol
CID 117409448
methyl (3R)-3-amino-3-(6-bromo-3-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoate
CID 171256370
2-[(1R)-1-amino-3-methylbutyl]-6-bromo-3-fluorophenol;hydrochloride
CID 171256863
3-bromo-6-fluorobenzene-1,2-diol
CID 45093034

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol?
The IUPAC name of 2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol (CID 130885199) is 2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol is C[C@@H](N)c1c(Br)ccc(F)c1O.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol?
The InChIKey is LIFCEKBHSHBNLK-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-4(11)7-5(9)2-3-6(10)8(7)12/h2-4,12H,11H2,1H3/t4-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol?
2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol has a molecular weight of 234.07 g/mol, XLogP of 2.31, 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]-3-bromo-6-fluorophenol is sourced from PubChem (CID 130885199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).