3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol

C15H12BrF2NO — CID 107089591

IUPAC3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(c2c(F)ccc(Br)c2F)c2ccccc21
InChIInChI=1S/C15H12BrF2NO/c16-10-5-6-11(17)13(14(10)18)15(20)7-12(19)8-3-1-2-4-9(8)15/h1-6,12,20H,7,19H2
InChIKeyFTYHSWKWSFEUET-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.37
Rot. Bonds1

About 3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol

3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol (PubChem CID 107089591) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol
PubChem CID107089591
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(c2c(F)ccc(Br)c2F)c2ccccc21
InChIInChI=1S/C15H12BrF2NO/c16-10-5-6-11(17)13(14(10)18)15(20)7-12(19)8-3-1-2-4-9(8)15/h1-6,12,20H,7,19H2
InChIKeyFTYHSWKWSFEUET-UHFFFAOYSA-N
XLogP3.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-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

3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol
CID 82158932
3-Amino-1-(5-bromo-2-fluorophenyl)cyclopentan-1-ol
CID 80561847
3-Amino-1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 106265723
3-Amino-1-(3-bromo-2-fluorophenyl)cyclopentan-1-ol
CID 106644507
3-Amino-1-(3-bromo-2,6-difluorophenyl)cyclopentan-1-ol
CID 106941420
3-Amino-1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089507
3-Amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089511
3-Amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol
CID 107089512
3-Amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089519
3-Amino-1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol
CID 107089524
3-Amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
CID 107089541
3-Amino-1-(5-bromo-2-fluorophenyl)-2,3-dihydroinden-1-ol
CID 107089543

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol (CID 107089591) is 3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol is NC1CC(O)(c2c(F)ccc(Br)c2F)c2ccccc21.
What is the InChIKey of 3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol?
The InChIKey is FTYHSWKWSFEUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c16-10-5-6-11(17)13(14(10)18)15(20)7-12(19)8-3-1-2-4-9(8)15/h1-6,12,20H,7,19H2.
What are the key properties of 3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol?
3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol has a molecular weight of 340.17 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).