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

C10H14N2O — CID 55278047

IUPAC(2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol
SMILESN[C@H](CO)c1cccc2c1NCC2
InChIInChI=1S/C10H14N2O/c11-9(6-13)8-3-1-2-7-4-5-12-10(7)8/h1-3,9,12-13H,4-6,11H2/t9-/m1/s1
InChIKeySXWPEAYGLBNJDI-SECBINFHSA-N
MW178.23 g/mol
LogP0.65
Rot. Bonds2

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

(2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol (PubChem CID 55278047) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol
PubChem CID55278047
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol
SMILESN[C@H](CO)c1cccc2c1NCC2
InChIInChI=1S/C10H14N2O/c11-9(6-13)8-3-1-2-7-4-5-12-10(7)8/h1-3,9,12-13H,4-6,11H2/t9-/m1/s1
InChIKeySXWPEAYGLBNJDI-SECBINFHSA-N
XLogP0.65
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol (CID 55278047) is (2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol is N[C@H](CO)c1cccc2c1NCC2.
What is the InChIKey of (2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol?
The InChIKey is SXWPEAYGLBNJDI-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2O/c11-9(6-13)8-3-1-2-7-4-5-12-10(7)8/h1-3,9,12-13H,4-6,11H2/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol?
(2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol has a molecular weight of 178.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol is sourced from PubChem (CID 55278047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).