1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol

C14H21FN2O2 — CID 103494888

IUPAC1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN1CCc2ccc(F)cc21
InChIInChI=1S/C14H21FN2O2/c1-19-7-5-16-9-13(18)10-17-6-4-11-2-3-12(15)8-14(11)17/h2-3,8,13,16,18H,4-7,9-10H2,1H3
InChIKeyJRWPPDWQTQESFN-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.79
Rot. Bonds7

About 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol

1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 103494888) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol
PubChem CID103494888
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN1CCc2ccc(F)cc21
InChIInChI=1S/C14H21FN2O2/c1-19-7-5-16-9-13(18)10-17-6-4-11-2-3-12(15)8-14(11)17/h2-3,8,13,16,18H,4-7,9-10H2,1H3
InChIKeyJRWPPDWQTQESFN-UHFFFAOYSA-N
XLogP0.79
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol (CID 103494888) is 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)CN1CCc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is JRWPPDWQTQESFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-19-7-5-16-9-13(18)10-17-6-4-11-2-3-12(15)8-14(11)17/h2-3,8,13,16,18H,4-7,9-10H2,1H3.
What are the key properties of 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 268.33 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydroindol-1-yl)-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 103494888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).