3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol

C16H15F2NO — CID 107089846

IUPAC3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(Cc2cc(F)cc(F)c2)c2ccccc21
InChIInChI=1S/C16H15F2NO/c17-11-5-10(6-12(18)7-11)8-16(20)9-15(19)13-3-1-2-4-14(13)16/h1-7,15,20H,8-9,19H2
InChIKeySSJHWNLYNARGIB-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.80
Rot. Bonds2

About 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol

3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 107089846) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol
PubChem CID107089846
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(Cc2cc(F)cc(F)c2)c2ccccc21
InChIInChI=1S/C16H15F2NO/c17-11-5-10(6-12(18)7-11)8-16(20)9-15(19)13-3-1-2-4-14(13)16/h1-7,15,20H,8-9,19H2
InChIKeySSJHWNLYNARGIB-UHFFFAOYSA-N
XLogP2.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-[(3,5-difluorophenyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol (CID 107089846) is 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol is NC1CC(O)(Cc2cc(F)cc(F)c2)c2ccccc21.
What is the InChIKey of 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is SSJHWNLYNARGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-11-5-10(6-12(18)7-11)8-16(20)9-15(19)13-3-1-2-4-14(13)16/h1-7,15,20H,8-9,19H2.
What are the key properties of 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol?
3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 275.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).