2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol

C13H22N2O2 — CID 82893454

IUPAC2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol
SMILESCOc1cc(C)nc(CNC(CO)C(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-9(2)13(8-16)14-7-11-6-12(17-4)5-10(3)15-11/h5-6,9,13-14,16H,7-8H2,1-4H3
InChIKeyQTTIHEDMSIFAJF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.51
Rot. Bonds6

About 2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol

2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol (PubChem CID 82893454) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol
PubChem CID82893454
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol
SMILESCOc1cc(C)nc(CNC(CO)C(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-9(2)13(8-16)14-7-11-6-12(17-4)5-10(3)15-11/h5-6,9,13-14,16H,7-8H2,1-4H3
InChIKeyQTTIHEDMSIFAJF-UHFFFAOYSA-N
XLogP1.51
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol with MolForge

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Related Compounds

(2R)-2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 103933123
1-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 82892971
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-2-phenylethanol
CID 82893531
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
(1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 82893911
(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 82886390
3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol
CID 82893538
(1R)-1-(2-fluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 82893767
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513
2-ethyl-2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 82892839
1-imidazol-1-yl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 82893599
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 82893826

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol (CID 82893454) is 2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol is COc1cc(C)nc(CNC(CO)C(C)C)c1.
What is the InChIKey of 2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol?
The InChIKey is QTTIHEDMSIFAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)13(8-16)14-7-11-6-12(17-4)5-10(3)15-11/h5-6,9,13-14,16H,7-8H2,1-4H3.
What are the key properties of 2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol?
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 82893454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).