(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol

C11H17NO — CID 55276460

IUPAC(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol
SMILESCCc1ccccc1[C@@H](CO)NC
InChIInChI=1S/C11H17NO/c1-3-9-6-4-5-7-10(9)11(8-13)12-2/h4-7,11-13H,3,8H2,1-2H3/t11-/m1/s1
InChIKeyWYFYODXOSMHKJI-LLVKDONJSA-N
MW179.26 g/mol
LogP1.50
Rot. Bonds4

About (2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol

(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol (PubChem CID 55276460) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol
PubChem CID55276460
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol
SMILESCCc1ccccc1[C@@H](CO)NC
InChIInChI=1S/C11H17NO/c1-3-9-6-4-5-7-10(9)11(8-13)12-2/h4-7,11-13H,3,8H2,1-2H3/t11-/m1/s1
InChIKeyWYFYODXOSMHKJI-LLVKDONJSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol?
The IUPAC name of (2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol (CID 55276460) is (2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for (2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for (2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol is CCc1ccccc1[C@@H](CO)NC.
What is the InChIKey of (2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol?
The InChIKey is WYFYODXOSMHKJI-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9-6-4-5-7-10(9)11(8-13)12-2/h4-7,11-13H,3,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol?
(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol has a molecular weight of 179.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 55276460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).