(2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol

C11H16N2O — CID 55277545

IUPAC(2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol
SMILESCN[C@H](CO)c1cccc2c1NCC2
InChIInChI=1S/C11H16N2O/c1-12-10(7-14)9-4-2-3-8-5-6-13-11(8)9/h2-4,10,12-14H,5-7H2,1H3/t10-/m1/s1
InChIKeyKORORSFMWLWYLN-SNVBAGLBSA-N
MW192.26 g/mol
LogP0.91
Rot. Bonds3

About (2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol

(2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol (PubChem CID 55277545) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol
PubChem CID55277545
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol
SMILESCN[C@H](CO)c1cccc2c1NCC2
InChIInChI=1S/C11H16N2O/c1-12-10(7-14)9-4-2-3-8-5-6-13-11(8)9/h2-4,10,12-14H,5-7H2,1H3/t10-/m1/s1
InChIKeyKORORSFMWLWYLN-SNVBAGLBSA-N
XLogP0.91
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol?
The IUPAC name of (2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol (CID 55277545) is (2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol?
The canonical SMILES for (2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol is CN[C@H](CO)c1cccc2c1NCC2.
What is the InChIKey of (2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol?
The InChIKey is KORORSFMWLWYLN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-10(7-14)9-4-2-3-8-5-6-13-11(8)9/h2-4,10,12-14H,5-7H2,1H3/t10-/m1/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol?
(2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol has a molecular weight of 192.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1H-indol-7-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 55277545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).