[(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine

C19H19FN2 — CID 68914493

IUPAC[(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine
SMILESCc1[nH]c2ccc(F)cc2c1[C@@H]1C[C@H](CN)c2ccccc21
InChIInChI=1S/C19H19FN2/c1-11-19(17-9-13(20)6-7-18(17)22-11)16-8-12(10-21)14-4-2-3-5-15(14)16/h2-7,9,12,16,22H,8,10,21H2,1H3/t12-,16-/m1/s1
InChIKeyADVVUKHKMLITCQ-MLGOLLRUSA-N
MW294.37 g/mol
LogP4.19
Rot. Bonds2

About [(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine

[(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine (PubChem CID 68914493) has the molecular formula C19H19FN2 and a molecular weight of 294.37 g/mol. Its IUPAC name is [(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine.

Molecular Properties

Compound Name[(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine
PubChem CID68914493
Molecular FormulaC19H19FN2
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Name[(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine
SMILESCc1[nH]c2ccc(F)cc2c1[C@@H]1C[C@H](CN)c2ccccc21
InChIInChI=1S/C19H19FN2/c1-11-19(17-9-13(20)6-7-18(17)22-11)16-8-12(10-21)14-4-2-3-5-15(14)16/h2-7,9,12,16,22H,8,10,21H2,1H3/t12-,16-/m1/s1
InChIKeyADVVUKHKMLITCQ-MLGOLLRUSA-N
XLogP4.19
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine?
The IUPAC name of [(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine (CID 68914493) is [(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine.
What is the SMILES notation for [(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine?
The canonical SMILES for [(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine is Cc1[nH]c2ccc(F)cc2c1[C@@H]1C[C@H](CN)c2ccccc21.
What is the InChIKey of [(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine?
The InChIKey is ADVVUKHKMLITCQ-MLGOLLRUSA-N. The full InChI is InChI=1S/C19H19FN2/c1-11-19(17-9-13(20)6-7-18(17)22-11)16-8-12(10-21)14-4-2-3-5-15(14)16/h2-7,9,12,16,22H,8,10,21H2,1H3/t12-,16-/m1/s1.
What are the key properties of [(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine?
[(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine has a molecular weight of 294.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(5-fluoro-2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-yl]methanamine is sourced from PubChem (CID 68914493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).