1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol

C18H21FN2O — CID 11709211

IUPAC1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)C(c1cccc(F)c1)N1CCc2ccccc21
InChIInChI=1S/C18H21FN2O/c1-20-12-17(22)18(14-6-4-7-15(19)11-14)21-10-9-13-5-2-3-8-16(13)21/h2-8,11,17-18,20,22H,9-10,12H2,1H3
InChIKeyBTVJQTZRSLQKDY-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.51
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol

1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol (PubChem CID 11709211) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
PubChem CID11709211
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)C(c1cccc(F)c1)N1CCc2ccccc21
InChIInChI=1S/C18H21FN2O/c1-20-12-17(22)18(14-6-4-7-15(19)11-14)21-10-9-13-5-2-3-8-16(13)21/h2-8,11,17-18,20,22H,9-10,12H2,1H3
InChIKeyBTVJQTZRSLQKDY-UHFFFAOYSA-N
XLogP2.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol (CID 11709211) is 1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol is CNCC(O)C(c1cccc(F)c1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol?
The InChIKey is BTVJQTZRSLQKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-20-12-17(22)18(14-6-4-7-15(19)11-14)21-10-9-13-5-2-3-8-16(13)21/h2-8,11,17-18,20,22H,9-10,12H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol?
1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol has a molecular weight of 300.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 11709211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).