2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol

C13H22N2O2 — CID 43499789

IUPAC2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1ncc(C)c(OC)c1C
InChIInChI=1S/C13H22N2O2/c1-5-11(8-16)14-7-12-10(3)13(17-4)9(2)6-15-12/h6,11,14,16H,5,7-8H2,1-4H3
InChIKeyNPTZMLNJNGYENA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.57
Rot. Bonds6

About 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol (PubChem CID 43499789) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol
PubChem CID43499789
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1ncc(C)c(OC)c1C
InChIInChI=1S/C13H22N2O2/c1-5-11(8-16)14-7-12-10(3)13(17-4)9(2)6-15-12/h6,11,14,16H,5,7-8H2,1-4H3
InChIKeyNPTZMLNJNGYENA-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol with MolForge

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Related Compounds

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-4-methylpentan-1-ol
CID 61246593
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-3-amine
CID 54954917
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949908
4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-2-amine
CID 83188547
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
3-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 65025177
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfanylpropan-2-amine
CID 62691956
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine
CID 63011439
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 102698009
(2S)-2-[(2-methoxy-3-methylphenyl)methylamino]butan-1-ol
CID 97179065
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 65106545

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol?
The IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol (CID 43499789) is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol is CCC(CO)NCc1ncc(C)c(OC)c1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol?
The InChIKey is NPTZMLNJNGYENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-11(8-16)14-7-12-10(3)13(17-4)9(2)6-15-12/h6,11,14,16H,5,7-8H2,1-4H3.
What are the key properties of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol?
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol is sourced from PubChem (CID 43499789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).