2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine

C13H22N2O2 — CID 102698009

IUPAC2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
SMILESCOc1c(C)cnc(CNCC(C)OC)c1C
InChIInChI=1S/C13H22N2O2/c1-9-6-15-12(11(3)13(9)17-5)8-14-7-10(2)16-4/h6,10,14H,7-8H2,1-5H3
InChIKeyWBBJJHCGAZEQSS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.83
Rot. Bonds6

About 2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine

2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 102698009) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID102698009
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
SMILESCOc1c(C)cnc(CNCC(C)OC)c1C
InChIInChI=1S/C13H22N2O2/c1-9-6-15-12(11(3)13(9)17-5)8-14-7-10(2)16-4/h6,10,14H,7-8H2,1-5H3
InChIKeyWBBJJHCGAZEQSS-UHFFFAOYSA-N
XLogP1.83
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine
CID 66089924
3-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 65025177
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28568814
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol
CID 43499835
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-3-amine
CID 54954917
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66180990
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 62996931
1-(4-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
CID 28581727
4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81012549
5-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-ol
CID 105088777
4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-2-amine
CID 83188547
3-chloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 106242426

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine (CID 102698009) is 2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine is COc1c(C)cnc(CNCC(C)OC)c1C.
What is the InChIKey of 2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is WBBJJHCGAZEQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-6-15-12(11(3)13(9)17-5)8-14-7-10(2)16-4/h6,10,14H,7-8H2,1-5H3.
What are the key properties of 2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine?
2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 102698009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).