2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol

C12H20N2O2 — CID 104864024

IUPAC2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
SMILESC[C@@H](O)c1ccc(N(C)C(C)(C)CO)nc1
InChIInChI=1S/C12H20N2O2/c1-9(16)10-5-6-11(13-7-10)14(4)12(2,3)8-15/h5-7,9,15-16H,8H2,1-4H3/t9-/m1/s1
InChIKeyXPJMGBJMJCQQGL-SECBINFHSA-N
MW224.30 g/mol
LogP1.34
Rot. Bonds4

About 2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol

2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol (PubChem CID 104864024) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
PubChem CID104864024
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
SMILESC[C@@H](O)c1ccc(N(C)C(C)(C)CO)nc1
InChIInChI=1S/C12H20N2O2/c1-9(16)10-5-6-11(13-7-10)14(4)12(2,3)8-15/h5-7,9,15-16H,8H2,1-4H3/t9-/m1/s1
InChIKeyXPJMGBJMJCQQGL-SECBINFHSA-N
XLogP1.34
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104863989
2-[(5-methoxy-2-pyridinyl)-methylamino]-2-methylpropan-1-ol
CID 106504679
5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol
CID 107200886
2-[2-bromo-4-[(1S)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-1-ol
CID 104864038
2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104863980
1-[[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 104985489
1-(6-ethyl-3-pyridinyl)ethanol
CID 88974864
(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol
CID 104869570
3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864183
2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol
CID 104552403
6-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylpyridazine-3-carboxamide
CID 113476224
1-[6-[methyl-(2-methyloxolan-3-yl)amino]-3-pyridinyl]ethanol
CID 82742695

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol (CID 104864024) is 2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol is C[C@@H](O)c1ccc(N(C)C(C)(C)CO)nc1.
What is the InChIKey of 2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol?
The InChIKey is XPJMGBJMJCQQGL-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(16)10-5-6-11(13-7-10)14(4)12(2,3)8-15/h5-7,9,15-16H,8H2,1-4H3/t9-/m1/s1.
What are the key properties of 2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol?
2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 104864024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).