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

C18H20N2O — CID 45486603

IUPAC(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@@H](c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C18H20N2O/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/t17-,18-/m1/s1
InChIKeyANOKEIWYHCYLAM-QZTJIDSGSA-N
MW280.37 g/mol
LogP2.81
Rot. Bonds5

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

(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol (PubChem CID 45486603) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol
PubChem CID45486603
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@@H](c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C18H20N2O/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/t17-,18-/m1/s1
InChIKeyANOKEIWYHCYLAM-QZTJIDSGSA-N
XLogP2.81
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol?
The IUPAC name of (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol (CID 45486603) is (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol?
The canonical SMILES for (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol is CNC[C@@H](O)[C@@H](c1ccccc1)n1ccc2ccccc21.
What is the InChIKey of (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol?
The InChIKey is ANOKEIWYHCYLAM-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H20N2O/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/t17-,18-/m1/s1.
What are the key properties of (1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol?
(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 2.81, 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 is sourced from PubChem (CID 45486603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).