(1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol

C19H19F3N2O — CID 45483068

IUPAC(1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1cccc(C(F)(F)F)c1)n1ccc2ccccc21
InChIInChI=1S/C19H19F3N2O/c1-23-12-17(25)18(14-6-4-7-15(11-14)19(20,21)22)24-10-9-13-5-2-3-8-16(13)24/h2-11,17-18,23,25H,12H2,1H3/t17-,18+/m1/s1
InChIKeyCNZYWYSSMUKCGY-MSOLQXFVSA-N
MW348.37 g/mol
LogP3.83
Rot. Bonds5

About (1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol

(1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 45483068) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is (1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID45483068
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name(1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1cccc(C(F)(F)F)c1)n1ccc2ccccc21
InChIInChI=1S/C19H19F3N2O/c1-23-12-17(25)18(14-6-4-7-15(11-14)19(20,21)22)24-10-9-13-5-2-3-8-16(13)24/h2-11,17-18,23,25H,12H2,1H3/t17-,18+/m1/s1
InChIKeyCNZYWYSSMUKCGY-MSOLQXFVSA-N
XLogP3.83
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol with MolForge

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Related Compounds

1-(Cyclohexylamino)-3-(6-methyl-3,4-dihydro-1H-carbazol-9(2H)-YL)propan-2-OL
CID 961704
Indole, 14
CID 44473055
(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-3-ol
CID 51346823
(3R,4S)-7-fluoro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53323657
(3S,4S)-4-[3,6-bis(trifluoromethyl)carbazol-9-yl]azepan-3-ol
CID 118627059
rac-5,7-difluoro-3-hydroxy-2,2-dimethyl-6-(3-methyl-1H-indol-7-yl)-2,3-dihydroquinolin-4(1H)-one O-ethyl oxime
CID 136000568
3-(1-benzyl-1H-indol-3-yl)propan-1-ol
CID 2053700
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
3-(1-phenyl-1H-indol-3-yl)-1-propanol
CID 2055004
1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol
CID 2942140
1-Carbazol-9-yl-3-[(3-methylbutyl)amino]propan-2-ol, chloride
CID 16247239
1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 45483068) is (1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol is CNC[C@@H](O)[C@H](c1cccc(C(F)(F)F)c1)n1ccc2ccccc21.
What is the InChIKey of (1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is CNZYWYSSMUKCGY-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-23-12-17(25)18(14-6-4-7-15(11-14)19(20,21)22)24-10-9-13-5-2-3-8-16(13)24/h2-11,17-18,23,25H,12H2,1H3/t17-,18+/m1/s1.
What are the key properties of (1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol?
(1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 348.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 45483068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).