[(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine

C17H17NO2 — CID 69207176

IUPAC[(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine
SMILESNC[C@@H]1C[C@H](c2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C17H17NO2/c18-9-12-7-15(14-4-2-1-3-13(12)14)11-5-6-16-17(8-11)20-10-19-16/h1-6,8,12,15H,7,9-10,18H2/t12-,15+/m0/s1
InChIKeyDNAVCFRHPHWYGY-SWLSCSKDSA-N
MW267.33 g/mol
LogP2.99
Rot. Bonds2

About [(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine

[(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine (PubChem CID 69207176) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is [(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine
PubChem CID69207176
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name[(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine
SMILESNC[C@@H]1C[C@H](c2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C17H17NO2/c18-9-12-7-15(14-4-2-1-3-13(12)14)11-5-6-16-17(8-11)20-10-19-16/h1-6,8,12,15H,7,9-10,18H2/t12-,15+/m0/s1
InChIKeyDNAVCFRHPHWYGY-SWLSCSKDSA-N
XLogP2.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine?
The IUPAC name of [(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine (CID 69207176) is [(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine.
What is the SMILES notation for [(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine?
The canonical SMILES for [(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine is NC[C@@H]1C[C@H](c2ccc3c(c2)OCO3)c2ccccc21.
What is the InChIKey of [(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine?
The InChIKey is DNAVCFRHPHWYGY-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H17NO2/c18-9-12-7-15(14-4-2-1-3-13(12)14)11-5-6-16-17(8-11)20-10-19-16/h1-6,8,12,15H,7,9-10,18H2/t12-,15+/m0/s1.
What are the key properties of [(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine?
[(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-inden-1-yl]methanamine is sourced from PubChem (CID 69207176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).