2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine

C18H19FN2 — CID 116531428

IUPAC2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(C1CCc3cc(F)ccc31)C2
InChIInChI=1S/C18H19FN2/c19-14-5-6-16-12(10-14)4-7-18(16)21-9-8-15-13(11-21)2-1-3-17(15)20/h1-3,5-6,10,18H,4,7-9,11,20H2
InChIKeyVNPNOTRILRYNSS-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.45
Rot. Bonds1

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

2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 116531428) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID116531428
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(C1CCc3cc(F)ccc31)C2
InChIInChI=1S/C18H19FN2/c19-14-5-6-16-12(10-14)4-7-18(16)21-9-8-15-13(11-21)2-1-3-17(15)20/h1-3,5-6,10,18H,4,7-9,11,20H2
InChIKeyVNPNOTRILRYNSS-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine with MolForge

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Related Compounds

2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522034
3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 116531514
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-3-amine
CID 116531458
2-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017555
2-[1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]ethanamine
CID 116531465
2-(3-methylcyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 103563697
2-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61019122
2-[(3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017935
2-(3-methoxycyclobutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 106822833
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine
CID 79723785
1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 103504352
2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017681

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine (CID 116531428) is 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine is Nc1cccc2c1CCN(C1CCc3cc(F)ccc31)C2.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is VNPNOTRILRYNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c19-14-5-6-16-12(10-14)4-7-18(16)21-9-8-15-13(11-21)2-1-3-17(15)20/h1-3,5-6,10,18H,4,7-9,11,20H2.
What are the key properties of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine?
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 282.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 116531428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).