3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol

C16H15BrFNO — CID 107089730

IUPAC3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(Cc2ccc(F)c(Br)c2)c2ccccc21
InChIInChI=1S/C16H15BrFNO/c17-13-7-10(5-6-14(13)18)8-16(20)9-15(19)11-3-1-2-4-12(11)16/h1-7,15,20H,8-9,19H2
InChIKeyVBRAIFALUCJNML-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.42
Rot. Bonds2

About 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol

3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 107089730) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
PubChem CID107089730
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(Cc2ccc(F)c(Br)c2)c2ccccc21
InChIInChI=1S/C16H15BrFNO/c17-13-7-10(5-6-14(13)18)8-16(20)9-15(19)11-3-1-2-4-12(11)16/h1-7,15,20H,8-9,19H2
InChIKeyVBRAIFALUCJNML-UHFFFAOYSA-N
XLogP3.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol
CID 82158932
1-(2-amino-3,3-dimethylcyclopentyl)-7-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-ol
CID 58951003
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-[(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-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol (CID 107089730) is 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol is NC1CC(O)(Cc2ccc(F)c(Br)c2)c2ccccc21.
What is the InChIKey of 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is VBRAIFALUCJNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-13-7-10(5-6-14(13)18)8-16(20)9-15(19)11-3-1-2-4-12(11)16/h1-7,15,20H,8-9,19H2.
What are the key properties of 3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
3-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 336.20 g/mol, XLogP of 3.42, 2 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-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).