7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine

C15H15FN2O — CID 137403809

IUPAC7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
SMILESCOc1cc(-c2cc(F)c3c(c2N)CCC3)ccn1
InChIInChI=1S/C15H15FN2O/c1-19-14-7-9(5-6-18-14)12-8-13(16)10-3-2-4-11(10)15(12)17/h5-8H,2-4,17H2,1H3
InChIKeyFCDIPXFQXSNPAZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.97
Rot. Bonds2

About 7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine

7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine (PubChem CID 137403809) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
PubChem CID137403809
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
SMILESCOc1cc(-c2cc(F)c3c(c2N)CCC3)ccn1
InChIInChI=1S/C15H15FN2O/c1-19-14-7-9(5-6-18-14)12-8-13(16)10-3-2-4-11(10)15(12)17/h5-8H,2-4,17H2,1H3
InChIKeyFCDIPXFQXSNPAZ-UHFFFAOYSA-N
XLogP2.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine 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 7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine (CID 137403809) is 7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine is COc1cc(-c2cc(F)c3c(c2N)CCC3)ccn1.
What is the InChIKey of 7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The InChIKey is FCDIPXFQXSNPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-19-14-7-9(5-6-18-14)12-8-13(16)10-3-2-4-11(10)15(12)17/h5-8H,2-4,17H2,1H3.
What are the key properties of 7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine has a molecular weight of 258.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 137403809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).