(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol

C9H14N2O — CID 175632849

IUPAC(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol
SMILESCCc1cccc([C@H](N)CO)n1
InChIInChI=1S/C9H14N2O/c1-2-7-4-3-5-9(11-7)8(10)6-12/h3-5,8,12H,2,6,10H2,1H3/t8-/m1/s1
InChIKeyQBEIVCNXEWLUDX-MRVPVSSYSA-N
MW166.22 g/mol
LogP0.64
Rot. Bonds3

About (2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol

(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol (PubChem CID 175632849) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol
PubChem CID175632849
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol
SMILESCCc1cccc([C@H](N)CO)n1
InChIInChI=1S/C9H14N2O/c1-2-7-4-3-5-9(11-7)8(10)6-12/h3-5,8,12H,2,6,10H2,1H3/t8-/m1/s1
InChIKeyQBEIVCNXEWLUDX-MRVPVSSYSA-N
XLogP0.64
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(6-bromo-2-pyridinyl)ethanol;hydrochloride
CID 121347573
[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
CID 55291801
(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol
CID 55292733
ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869074
(6-ethyl-2-pyridinyl)methanol
CID 10749240
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
(2R)-2-amino-2-pyridin-2-ylethanol;hydrochloride
CID 86306039
(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propanenitrile
CID 130649323
(2S)-2-amino-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol
CID 96862845
(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
CID 55265043
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
2-amino-2-(4-ethyl-6-methylpyrimidin-2-yl)ethanol
CID 116895777

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol (CID 175632849) is (2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol is CCc1cccc([C@H](N)CO)n1.
What is the InChIKey of (2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol?
The InChIKey is QBEIVCNXEWLUDX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-7-4-3-5-9(11-7)8(10)6-12/h3-5,8,12H,2,6,10H2,1H3/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol?
(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol has a molecular weight of 166.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 175632849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).