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

C21H25FN2O — CID 25253859

IUPAC(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(C(C)C)c2ccccc21
InChIInChI=1S/C21H25FN2O/c1-14(2)18-13-24(19-10-5-4-9-17(18)19)21(20(25)12-23-3)15-7-6-8-16(22)11-15/h4-11,13-14,20-21,23,25H,12H2,1-3H3/t20-,21+/m1/s1
InChIKeyJQUDGXCHZMXNFC-RTWAWAEBSA-N
MW340.44 g/mol
LogP4.07
Rot. Bonds6

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

(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol (PubChem CID 25253859) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol
PubChem CID25253859
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(C(C)C)c2ccccc21
InChIInChI=1S/C21H25FN2O/c1-14(2)18-13-24(19-10-5-4-9-17(18)19)21(20(25)12-23-3)15-7-6-8-16(22)11-15/h4-11,13-14,20-21,23,25H,12H2,1-3H3/t20-,21+/m1/s1
InChIKeyJQUDGXCHZMXNFC-RTWAWAEBSA-N
XLogP4.07
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butylindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 68906978
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(4-methylindol-1-yl)propan-2-ol
CID 45483063
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-[3-(2-propan-2-yloxyphenyl)indol-1-yl]propan-2-ol;methane;sulfane
CID 160611906
(1S,2R)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;hydrochloride
CID 68907902
1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylindole
CID 150635589
(2S,3S)-3-(3-tert-butylindol-1-yl)-3-(3-fluorophenyl)propane-1,2-diol
CID 68908036
1-(5-chloroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 68906067
(2S,3S)-3-[3-(2-chlorophenyl)indol-1-yl]-3-(3-fluorophenyl)propane-1,2-diol
CID 68902935
(1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 45486630
1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 68903649
1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 11659404
(1S,2R)-1-(3-fluorophenyl)-1-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)-3-(methylamino)propan-2-ol
CID 58837434

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol?
The IUPAC name of (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol (CID 25253859) is (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol is CNC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(C(C)C)c2ccccc21.
What is the InChIKey of (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol?
The InChIKey is JQUDGXCHZMXNFC-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-14(2)18-13-24(19-10-5-4-9-17(18)19)21(20(25)12-23-3)15-7-6-8-16(22)11-15/h4-11,13-14,20-21,23,25H,12H2,1-3H3/t20-,21+/m1/s1.
What are the key properties of (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol?
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol has a molecular weight of 340.44 g/mol, XLogP of 4.07, 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-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol is sourced from PubChem (CID 25253859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).