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

Name: 4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₀N₂O₂ — CID 106253494

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol
PubChem CID	106253494
Molecular Formula	C₁₂H₂₀N₂O₂
Molecular Weight	224.30 g/mol
Exact Mass	224.15
IUPAC Name	4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol
SMILES	COCCC(C)(O)CNc1ncccc1C
InChI	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)
InChIKey	PBQBJTCCAFOYBY-UHFFFAOYSA-N
XLogP	1.59
TPSA	54.38 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	224.30
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 106253494 — identifiers, structure, computed properties (public domain)

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