2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol

C19H19F3N2O — CID 166792346

IUPAC2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol
SMILESC[C@H](Cc1c[nH]c2ccc(-c3ccccc3O)cc12)NCC(F)(F)F
InChIInChI=1S/C19H19F3N2O/c1-12(24-11-19(20,21)22)8-14-10-23-17-7-6-13(9-16(14)17)15-4-2-3-5-18(15)25/h2-7,9-10,12,23-25H,8,11H2,1H3/t12-/m1/s1
InChIKeyJXKOKNSVTRUCIE-GFCCVEGCSA-N
MW348.37 g/mol
LogP4.62
Rot. Bonds5

About 2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol

2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol (PubChem CID 166792346) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol
PubChem CID166792346
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol
SMILESC[C@H](Cc1c[nH]c2ccc(-c3ccccc3O)cc12)NCC(F)(F)F
InChIInChI=1S/C19H19F3N2O/c1-12(24-11-19(20,21)22)8-14-10-23-17-7-6-13(9-16(14)17)15-4-2-3-5-18(15)25/h2-7,9-10,12,23-25H,8,11H2,1H3/t12-/m1/s1
InChIKeyJXKOKNSVTRUCIE-GFCCVEGCSA-N
XLogP4.62
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
CID 121410502
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
2,2-difluoro-3-[1-(5-methyl-1H-indol-3-yl)propan-2-ylamino]propan-1-ol
CID 174234138
2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine
CID 130300765
2-[1-(1H-indol-3-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 139750798
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138693223
tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide
CID 162617200
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
2-amino-3-[5-(2-methylphenyl)-1H-indol-3-yl]propanoic acid
CID 141230754
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine
CID 138643387
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
3-[1-(5-fluoro-1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoic acid
CID 135267291

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol?
The IUPAC name of 2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol (CID 166792346) is 2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol.
What is the SMILES notation for 2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol?
The canonical SMILES for 2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol is C[C@H](Cc1c[nH]c2ccc(-c3ccccc3O)cc12)NCC(F)(F)F.
What is the InChIKey of 2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol?
The InChIKey is JXKOKNSVTRUCIE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-12(24-11-19(20,21)22)8-14-10-23-17-7-6-13(9-16(14)17)15-4-2-3-5-18(15)25/h2-7,9-10,12,23-25H,8,11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol?
2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol has a molecular weight of 348.37 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-2-(2,2,2-trifluoroethylamino)propyl]-1H-indol-5-yl]phenol is sourced from PubChem (CID 166792346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).