(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol

C19H22N2O2 — CID 45483060

IUPAC(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1cccc(OC)c1)n1ccc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-20-13-18(22)19(15-7-5-8-16(12-15)23-2)21-11-10-14-6-3-4-9-17(14)21/h3-12,18-20,22H,13H2,1-2H3/t18-,19+/m1/s1
InChIKeyFQEQHKRYLKAFDD-MOPGFXCFSA-N
MW310.40 g/mol
LogP2.82
Rot. Bonds6

About (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol

(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol (PubChem CID 45483060) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol
PubChem CID45483060
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1cccc(OC)c1)n1ccc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-20-13-18(22)19(15-7-5-8-16(12-15)23-2)21-11-10-14-6-3-4-9-17(14)21/h3-12,18-20,22H,13H2,1-2H3/t18-,19+/m1/s1
InChIKeyFQEQHKRYLKAFDD-MOPGFXCFSA-N
XLogP2.82
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol?
The IUPAC name of (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol (CID 45483060) is (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol?
The canonical SMILES for (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol is CNC[C@@H](O)[C@H](c1cccc(OC)c1)n1ccc2ccccc21.
What is the InChIKey of (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol?
The InChIKey is FQEQHKRYLKAFDD-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-20-13-18(22)19(15-7-5-8-16(12-15)23-2)21-11-10-14-6-3-4-9-17(14)21/h3-12,18-20,22H,13H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol?
(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol has a molecular weight of 310.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 45483060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).