(1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride

C18H23ClN2O — CID 45139777

IUPAC(1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N1CCc2ccccc21.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-19-13-17(21)18(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)20;/h2-10,17-19,21H,11-13H2,1H3;1H/t17-,18+;/m1./s1
InChIKeyJLWSMMAHZFKYJR-URBRKQAFSA-N
MW318.85 g/mol
LogP2.79
Rot. Bonds5

About (1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride

(1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride (PubChem CID 45139777) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is (1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
PubChem CID45139777
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name(1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N1CCc2ccccc21.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-19-13-17(21)18(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)20;/h2-10,17-19,21H,11-13H2,1H3;1H/t17-,18+;/m1./s1
InChIKeyJLWSMMAHZFKYJR-URBRKQAFSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride with MolForge

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Related Compounds

2,3-dihydro-1H-indol-2-ylmethanol
CID 2794664
2-(2,5-Dimethylanilino)-1-phenylethanol
CID 4401326
(1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24764464
(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897268
(1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897269
(R,S/S,R)-syn-1-(methyl(m-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897270
(R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897482
(R,S/S,R)-syn-1-((2-chlorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897483
(R,S/S,R)-syn-1-((3-chlorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897484
(R,S/S,R)-syn-1-((4-chlorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897486
(R,S/S,R)-syn-1-(3-chlorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24897687
(R,S/S,R)-syn-1-(4-chlorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24897688

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride (CID 45139777) is (1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride is CNC[C@@H](O)[C@H](c1ccccc1)N1CCc2ccccc21.Cl.
What is the InChIKey of (1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride?
The InChIKey is JLWSMMAHZFKYJR-URBRKQAFSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-19-13-17(21)18(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)20;/h2-10,17-19,21H,11-13H2,1H3;1H/t17-,18+;/m1./s1.
What are the key properties of (1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride?
(1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 45139777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).