1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol

C18H19FN2O — CID 68903649

IUPAC1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNCC(O)C(c1ccccc1)n1ccc2ccc(F)cc21
InChIInChI=1S/C18H19FN2O/c1-20-12-17(22)18(14-5-3-2-4-6-14)21-10-9-13-7-8-15(19)11-16(13)21/h2-11,17-18,20,22H,12H2,1H3
InChIKeyGMWCJDOJRXDESS-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.95
Rot. Bonds5

About 1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol

1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol (PubChem CID 68903649) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
PubChem CID68903649
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNCC(O)C(c1ccccc1)n1ccc2ccc(F)cc21
InChIInChI=1S/C18H19FN2O/c1-20-12-17(22)18(14-5-3-2-4-6-14)21-10-9-13-7-8-15(19)11-16(13)21/h2-11,17-18,20,22H,12H2,1H3
InChIKeyGMWCJDOJRXDESS-UHFFFAOYSA-N
XLogP2.95
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol?
The IUPAC name of 1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol (CID 68903649) is 1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for 1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol?
The canonical SMILES for 1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol is CNCC(O)C(c1ccccc1)n1ccc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol?
The InChIKey is GMWCJDOJRXDESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-20-12-17(22)18(14-5-3-2-4-6-14)21-10-9-13-7-8-15(19)11-16(13)21/h2-11,17-18,20,22H,12H2,1H3.
What are the key properties of 1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol?
1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol has a molecular weight of 298.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 68903649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).