(2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol

C12H19NO3 — CID 66515135

IUPAC(2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol
SMILESCCOc1cccc([C@H](N)CO)c1OCC
InChIInChI=1S/C12H19NO3/c1-3-15-11-7-5-6-9(10(13)8-14)12(11)16-4-2/h5-7,10,14H,3-4,8,13H2,1-2H3/t10-/m1/s1
InChIKeyRRNKZTWRKTXFEM-SNVBAGLBSA-N
MW225.29 g/mol
LogP1.48
Rot. Bonds6

About (2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol

(2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol (PubChem CID 66515135) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol
PubChem CID66515135
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol
SMILESCCOc1cccc([C@H](N)CO)c1OCC
InChIInChI=1S/C12H19NO3/c1-3-15-11-7-5-6-9(10(13)8-14)12(11)16-4-2/h5-7,10,14H,3-4,8,13H2,1-2H3/t10-/m1/s1
InChIKeyRRNKZTWRKTXFEM-SNVBAGLBSA-N
XLogP1.48
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol (CID 66515135) is (2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol is CCOc1cccc([C@H](N)CO)c1OCC.
What is the InChIKey of (2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol?
The InChIKey is RRNKZTWRKTXFEM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-15-11-7-5-6-9(10(13)8-14)12(11)16-4-2/h5-7,10,14H,3-4,8,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol?
(2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2,3-diethoxyphenyl)ethanol is sourced from PubChem (CID 66515135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).