1-[3-(1-aminoethyl)-2-pyridinyl]ethanol

C9H14N2O — CID 123838969

IUPAC1-[3-(1-aminoethyl)-2-pyridinyl]ethanol
SMILESCC(N)c1cccnc1C(C)O
InChIInChI=1S/C9H14N2O/c1-6(10)8-4-3-5-11-9(8)7(2)12/h3-7,12H,10H2,1-2H3
InChIKeyIVCVKCQCXQHAJE-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.15
Rot. Bonds2

About 1-[3-(1-aminoethyl)-2-pyridinyl]ethanol

1-[3-(1-aminoethyl)-2-pyridinyl]ethanol (PubChem CID 123838969) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)-2-pyridinyl]ethanol
PubChem CID123838969
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-[3-(1-aminoethyl)-2-pyridinyl]ethanol
SMILESCC(N)c1cccnc1C(C)O
InChIInChI=1S/C9H14N2O/c1-6(10)8-4-3-5-11-9(8)7(2)12/h3-7,12H,10H2,1-2H3
InChIKeyIVCVKCQCXQHAJE-UHFFFAOYSA-N
XLogP1.15
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminoethyl]pyridin-3-ol
CID 96848333
(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826
[3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol
CID 130671700
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
3-[(1S)-1-aminoethyl]-N-methylpyridin-2-amine
CID 130738864
N-[2-(1-hydroxyethyl)-3-pyridinyl]acetamide
CID 133062279
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
(1S)-1-(2-chloro-3-pyridinyl)ethanol
CID 86330823
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-ol
CID 55292838
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
(1R)-1-quinolin-5-ylethanamine
CID 55277010
1-(2-ethynyl-3-pyridinyl)ethanamine
CID 74788747

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)-2-pyridinyl]ethanol?
The IUPAC name of 1-[3-(1-aminoethyl)-2-pyridinyl]ethanol (CID 123838969) is 1-[3-(1-aminoethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[3-(1-aminoethyl)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[3-(1-aminoethyl)-2-pyridinyl]ethanol is CC(N)c1cccnc1C(C)O.
What is the InChIKey of 1-[3-(1-aminoethyl)-2-pyridinyl]ethanol?
The InChIKey is IVCVKCQCXQHAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(10)8-4-3-5-11-9(8)7(2)12/h3-7,12H,10H2,1-2H3.
What are the key properties of 1-[3-(1-aminoethyl)-2-pyridinyl]ethanol?
1-[3-(1-aminoethyl)-2-pyridinyl]ethanol has a molecular weight of 166.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 123838969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).