2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol

C11H13BrFNO — CID 131559036

IUPAC2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol
SMILESN[C@H](CC1CC1)c1cc(Br)cc(F)c1O
InChIInChI=1S/C11H13BrFNO/c12-7-4-8(11(15)9(13)5-7)10(14)3-6-1-2-6/h4-6,10,15H,1-3,14H2/t10-/m1/s1
InChIKeyCMEHMPBPHWMMOZ-SNVBAGLBSA-N
MW274.13 g/mol
LogP3.09
Rot. Bonds3

About 2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol

2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol (PubChem CID 131559036) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol
PubChem CID131559036
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol
SMILESN[C@H](CC1CC1)c1cc(Br)cc(F)c1O
InChIInChI=1S/C11H13BrFNO/c12-7-4-8(11(15)9(13)5-7)10(14)3-6-1-2-6/h4-6,10,15H,1-3,14H2/t10-/m1/s1
InChIKeyCMEHMPBPHWMMOZ-SNVBAGLBSA-N
XLogP3.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.09
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-amino-2-cyclopropylethyl]-4-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

2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
CID 130715689
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol
CID 66515526
2-[(S)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171253387
2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol
CID 131256962
2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-nitrophenol
CID 171214764
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine
CID 115863908
2-[(1S)-1-aminoethyl]-4-bromo-6-fluorophenol
CID 130713722
4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
CID 171199182
1-(4-bromo-2-fluorophenyl)-2-(oxan-4-yl)ethanamine
CID 114905994
(2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
CID 130691393
2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
CID 77129596

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol?
The IUPAC name of 2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol (CID 131559036) is 2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol?
The canonical SMILES for 2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol is N[C@H](CC1CC1)c1cc(Br)cc(F)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol?
The InChIKey is CMEHMPBPHWMMOZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-7-4-8(11(15)9(13)5-7)10(14)3-6-1-2-6/h4-6,10,15H,1-3,14H2/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol?
2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol has a molecular weight of 274.13 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol is sourced from PubChem (CID 131559036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).