1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine

C12H20N2O2 — CID 105065859

IUPAC1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)c1ccncc1OC
InChIInChI=1S/C12H20N2O2/c1-9(2)16-8-11(13-3)10-5-6-14-7-12(10)15-4/h5-7,9,11,13H,8H2,1-4H3
InChIKeyWZGBTZXAXIXLOO-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.78
Rot. Bonds6

About 1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine

1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 105065859) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine
PubChem CID105065859
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCNC(COC(C)C)c1ccncc1OC
InChIInChI=1S/C12H20N2O2/c1-9(2)16-8-11(13-3)10-5-6-14-7-12(10)15-4/h5-7,9,11,13H,8H2,1-4H3
InChIKeyWZGBTZXAXIXLOO-UHFFFAOYSA-N
XLogP1.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 105065296
1-isoquinolin-5-yl-N-methyl-2-propan-2-yloxyethanamine
CID 105143463
1-(3-methoxy-4-pyridinyl)-N-methylhex-5-en-1-amine
CID 105065658
2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065334
2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065184
1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105174719
1-(3-methoxy-4-pyridinyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030781
1-cyclopentyl-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065154
[2-cyclobutyl-1-(3-methoxy-4-pyridinyl)ethyl]hydrazine
CID 105310161
1-(3-methoxy-4-pyridinyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105065787
1-cycloheptyl-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065977
1-(4-ethylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065349

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine (CID 105065859) is 1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine is CNC(COC(C)C)c1ccncc1OC.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is WZGBTZXAXIXLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)16-8-11(13-3)10-5-6-14-7-12(10)15-4/h5-7,9,11,13H,8H2,1-4H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine?
1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 224.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105065859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).