(1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol

C20H23FN2O — CID 45483094

IUPAC(1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
SMILESCCc1cn([C@@H](c2cccc(F)c2)[C@H](O)CNC)c2ccccc12
InChIInChI=1S/C20H23FN2O/c1-3-14-13-23(18-10-5-4-9-17(14)18)20(19(24)12-22-2)15-7-6-8-16(21)11-15/h4-11,13,19-20,22,24H,3,12H2,1-2H3/t19-,20+/m1/s1
InChIKeyJHNQGHUWSOJCOC-UXHICEINSA-N
MW326.42 g/mol
LogP3.51
Rot. Bonds6

About (1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol

(1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol (PubChem CID 45483094) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is (1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
PubChem CID45483094
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
SMILESCCc1cn([C@@H](c2cccc(F)c2)[C@H](O)CNC)c2ccccc12
InChIInChI=1S/C20H23FN2O/c1-3-14-13-23(18-10-5-4-9-17(14)18)20(19(24)12-22-2)15-7-6-8-16(21)11-15/h4-11,13,19-20,22,24H,3,12H2,1-2H3/t19-,20+/m1/s1
InChIKeyJHNQGHUWSOJCOC-UXHICEINSA-N
XLogP3.51
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9927453
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CID 51346823
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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol?
The IUPAC name of (1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol (CID 45483094) is (1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol?
The canonical SMILES for (1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol is CCc1cn([C@@H](c2cccc(F)c2)[C@H](O)CNC)c2ccccc12.
What is the InChIKey of (1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol?
The InChIKey is JHNQGHUWSOJCOC-UXHICEINSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-3-14-13-23(18-10-5-4-9-17(14)18)20(19(24)12-22-2)15-7-6-8-16(21)11-15/h4-11,13,19-20,22,24H,3,12H2,1-2H3/t19-,20+/m1/s1.
What are the key properties of (1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol?
(1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol has a molecular weight of 326.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(3-ethylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 45483094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).