4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol

C11H18N2O2 — CID 106157813

IUPAC4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1cccc(C)n1
InChIInChI=1S/C11H18N2O2/c1-9-4-3-5-11(12-9)13-10(6-7-14)8-15-2/h3-5,10,14H,6-8H2,1-2H3,(H,12,13)
InChIKeyPZDZWTRKYLEOFJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.20
Rot. Bonds6

About 4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol

4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol (PubChem CID 106157813) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol
PubChem CID106157813
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol
SMILESCOCC(CCO)Nc1cccc(C)n1
InChIInChI=1S/C11H18N2O2/c1-9-4-3-5-11(12-9)13-10(6-7-14)8-15-2/h3-5,10,14H,6-8H2,1-2H3,(H,12,13)
InChIKeyPZDZWTRKYLEOFJ-UHFFFAOYSA-N
XLogP1.20
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 103703344
3-methoxy-2-[(6-methoxy-2-pyridinyl)amino]propan-1-ol
CID 106186402
4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 114152250
2-N-(6-methyl-2-pyridinyl)pentane-1,2-diamine
CID 65192485
6-N-(1-methoxybutan-2-yl)-2-N-methylpyridine-2,6-diamine
CID 80836609
N-ethyl-6-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazine-3-carboxamide
CID 106158242
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163088
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152267
4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol
CID 106162039
4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163156
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163180
4-methoxy-3-[(6-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113239941

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol (CID 106157813) is 4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol is COCC(CCO)Nc1cccc(C)n1.
What is the InChIKey of 4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol?
The InChIKey is PZDZWTRKYLEOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-4-3-5-11(12-9)13-10(6-7-14)8-15-2/h3-5,10,14H,6-8H2,1-2H3,(H,12,13).
What are the key properties of 4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol?
4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(6-methyl-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 106157813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).