3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine

C13H22N2O2 — CID 103228869

IUPAC3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine
SMILESCCCNCC(COC)Oc1cccnc1C
InChIInChI=1S/C13H22N2O2/c1-4-7-14-9-12(10-16-3)17-13-6-5-8-15-11(13)2/h5-6,8,12,14H,4,7,9-10H2,1-3H3
InChIKeyKTZLYYWIFGMTAV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.78
Rot. Bonds8

About 3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine

3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine (PubChem CID 103228869) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine
PubChem CID103228869
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine
SMILESCCCNCC(COC)Oc1cccnc1C
InChIInChI=1S/C13H22N2O2/c1-4-7-14-9-12(10-16-3)17-13-6-5-8-15-11(13)2/h5-6,8,12,14H,4,7,9-10H2,1-3H3
InChIKeyKTZLYYWIFGMTAV-UHFFFAOYSA-N
XLogP1.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine
CID 103228870
2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
CID 103228055
N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine
CID 83045840
2-(4-bromo-2,5-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
CID 107661120
3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine
CID 103229133
N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine
CID 103228026
2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine
CID 107661333
ethane;2-methyl-3-propan-2-yloxypyridine
CID 169127278
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine
CID 103228424
N-(2-methylpropyl)-2-quinolin-5-yloxypentan-1-amine
CID 103045732
3-(2,2-difluoroethoxy)-2-methylpyridine
CID 131160464
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine?
The IUPAC name of 3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine (CID 103228869) is 3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine?
The canonical SMILES for 3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine is CCCNCC(COC)Oc1cccnc1C.
What is the InChIKey of 3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine?
The InChIKey is KTZLYYWIFGMTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-7-14-9-12(10-16-3)17-13-6-5-8-15-11(13)2/h5-6,8,12,14H,4,7,9-10H2,1-3H3.
What are the key properties of 3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine?
3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]-N-propylpropan-1-amine is sourced from PubChem (CID 103228869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).