(1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol

C18H19FN2O — CID 45486630

IUPAC(1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNC[C@H](O)[C@H](c1ccccc1)n1ccc2cc(F)ccc21
InChIInChI=1S/C18H19FN2O/c1-20-12-17(22)18(13-5-3-2-4-6-13)21-10-9-14-11-15(19)7-8-16(14)21/h2-11,17-18,20,22H,12H2,1H3/t17-,18-/m0/s1
InChIKeyFKDKUDMUXGCBLI-ROUUACIJSA-N
MW298.36 g/mol
LogP2.95
Rot. Bonds5

About (1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol

(1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol (PubChem CID 45486630) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is (1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
PubChem CID45486630
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name(1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNC[C@H](O)[C@H](c1ccccc1)n1ccc2cc(F)ccc21
InChIInChI=1S/C18H19FN2O/c1-20-12-17(22)18(13-5-3-2-4-6-13)21-10-9-14-11-15(19)7-8-16(14)21/h2-11,17-18,20,22H,12H2,1H3/t17-,18-/m0/s1
InChIKeyFKDKUDMUXGCBLI-ROUUACIJSA-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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Related Compounds

1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 11659404
1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 68903649
1-[(1S,2S)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-ol
CID 69159022
(1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride
CID 68906029
(1S,2R)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;hydrochloride
CID 68907902
(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
CID 68906230
1-(5-chloroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 68906067
N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
CID 58837417
methane;(1S,2R)-3-(methylamino)-1-phenyl-1-[5-(2-phenylethoxy)indol-1-yl]propan-2-ol;sulfane
CID 157086030
(1S,2R)-1-(3-fluorophenyl)-1-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)-3-(methylamino)propan-2-ol
CID 58837434
(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
CID 45483087
2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
CID 141172289

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol?
The IUPAC name of (1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol (CID 45486630) is (1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol is CNC[C@H](O)[C@H](c1ccccc1)n1ccc2cc(F)ccc21.
What is the InChIKey of (1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol?
The InChIKey is FKDKUDMUXGCBLI-ROUUACIJSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-20-12-17(22)18(13-5-3-2-4-6-13)21-10-9-14-11-15(19)7-8-16(14)21/h2-11,17-18,20,22H,12H2,1H3/t17-,18-/m0/s1.
What are the key properties of (1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol?
(1S,2S)-1-(5-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 (1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 45486630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).