2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol

C11H14BrF2NO — CID 106943818

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2NO/c1-3-15-6-11(2,16)9-8(13)5-4-7(12)10(9)14/h4-5,15-16H,3,6H2,1-2H3
InChIKeyWUJZIUCYEZMLMF-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.54
Rot. Bonds4

About 2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol

2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol (PubChem CID 106943818) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol
PubChem CID106943818
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrF2NO/c1-3-15-6-11(2,16)9-8(13)5-4-7(12)10(9)14/h4-5,15-16H,3,6H2,1-2H3
InChIKeyWUJZIUCYEZMLMF-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol 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-(2,6-difluoro-3-methylphenyl)-1-(ethylamino)propan-2-ol
CID 82828009
1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 106273667
4-(3-bromo-2,6-difluorophenyl)heptan-4-ol
CID 106941520
2-(4-bromo-2-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 82973789
2-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 106271410
1-(3-bromo-2,6-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 106941187
2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol
CID 62773195
2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol
CID 106941489
1-(5-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66036998
2-(3-bromo-2,6-difluorophenyl)-3-methylpentan-2-amine
CID 106941583
1-(ethylamino)-2-(2,4,6-trimethylphenyl)propan-2-ol
CID 62773393
N-[[4-(3-bromo-2,6-difluorophenyl)phenyl]methyl]ethanamine
CID 106943271

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol (CID 106943818) is 2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol is CCNCC(C)(O)c1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol?
The InChIKey is WUJZIUCYEZMLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c1-3-15-6-11(2,16)9-8(13)5-4-7(12)10(9)14/h4-5,15-16H,3,6H2,1-2H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol?
2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol has a molecular weight of 294.14 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(ethylamino)propan-2-ol is sourced from PubChem (CID 106943818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).