N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine

C17H16FNO2 — CID 115929026

IUPACN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESFc1ccc2c(c1)CCC2Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H16FNO2/c18-12-2-4-14-11(9-12)1-5-15(14)19-13-3-6-16-17(10-13)21-8-7-20-16/h2-4,6,9-10,15,19H,1,5,7-8H2
InChIKeyPNHOBXSXWCUXKD-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.70
Rot. Bonds2

About N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 115929026) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID115929026
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC NameN-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESFc1ccc2c(c1)CCC2Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H16FNO2/c18-12-2-4-14-11(9-12)1-5-15(14)19-13-3-6-16-17(10-13)21-8-7-20-16/h2-4,6,9-10,15,19H,1,5,7-8H2
InChIKeyPNHOBXSXWCUXKD-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine 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

5-fluoro-N-(4-iodophenyl)-2,3-dihydro-1H-inden-1-amine
CID 116530824
1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682101
5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756
5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 115916737
N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115917148
N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115915933
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 116530834
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115465942
5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 115918170
N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 82536030
N-(2,3-difluorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530973

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 115929026) is N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine is Fc1ccc2c(c1)CCC2Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is PNHOBXSXWCUXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-12-2-4-14-11(9-12)1-5-15(14)19-13-3-6-16-17(10-13)21-8-7-20-16/h2-4,6,9-10,15,19H,1,5,7-8H2.
What are the key properties of N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine?
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 285.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 115929026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).