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

C18H21ClN2O — CID 68906230

IUPAC(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
SMILESCNC[C@@H](O)[C@@H](c1ccccc1)n1ccc2ccccc21.Cl
InChIInChI=1S/C18H20N2O.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;/h2-12,17-19,21H,13H2,1H3;1H/t17-,18-;/m1./s1
InChIKeyLUIWHKVXZYFQLW-JAXOOIEVSA-N
MW316.83 g/mol
LogP3.23
Rot. Bonds5

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

(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride (PubChem CID 68906230) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
PubChem CID68906230
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
SMILESCNC[C@@H](O)[C@@H](c1ccccc1)n1ccc2ccccc21.Cl
InChIInChI=1S/C18H20N2O.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;/h2-12,17-19,21H,13H2,1H3;1H/t17-,18-;/m1./s1
InChIKeyLUIWHKVXZYFQLW-JAXOOIEVSA-N
XLogP3.23
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
CID 45483087
(1S,2R)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;hydrochloride
CID 68907902
(1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride
CID 68906029
(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride
CID 68904895
1-[(1S,2S)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-ol
CID 69159022
(1R,2S)-1-indol-1-yl-3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 68906584
1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 68903649
(1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 45486630
1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 11659404
(1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 68906806
1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
CID 11688248
(1S,2R)-1-(4-aminoindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 89197356

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride (CID 68906230) is (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride is CNC[C@@H](O)[C@@H](c1ccccc1)n1ccc2ccccc21.Cl.
What is the InChIKey of (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride?
The InChIKey is LUIWHKVXZYFQLW-JAXOOIEVSA-N. The full InChI is InChI=1S/C18H20N2O.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;/h2-12,17-19,21H,13H2,1H3;1H/t17-,18-;/m1./s1.
What are the key properties of (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride?
(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 68906230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).