4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol

C12H20N2O2 — CID 106253494

IUPAC4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNc1ncccc1C
InChIInChI=1S/C12H20N2O2/c1-10-5-4-7-13-11(10)14-9-12(2,15)6-8-16-3/h4-5,7,15H,6,8-9H2,1-3H3,(H,13,14)
InChIKeyPBQBJTCCAFOYBY-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.59
Rot. Bonds6

About 4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol

4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol (PubChem CID 106253494) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol
PubChem CID106253494
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNc1ncccc1C
InChIInChI=1S/C12H20N2O2/c1-10-5-4-7-13-11(10)14-9-12(2,15)6-8-16-3/h4-5,7,15H,6,8-9H2,1-3H3,(H,13,14)
InChIKeyPBQBJTCCAFOYBY-UHFFFAOYSA-N
XLogP1.59
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol (CID 106253494) is 4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol is COCCC(C)(O)CNc1ncccc1C.
What is the InChIKey of 4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol?
The InChIKey is PBQBJTCCAFOYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-5-4-7-13-11(10)14-9-12(2,15)6-8-16-3/h4-5,7,15H,6,8-9H2,1-3H3,(H,13,14).
What are the key properties of 4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol?
4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 106253494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).