1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine

C17H22N2O2 — CID 102940231

IUPAC1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCOCc2ccccc2)c(CC(C)N)n1
InChIInChI=1S/C17H22N2O2/c1-13(18)10-16-17(9-8-14(2)19-16)21-12-20-11-15-6-4-3-5-7-15/h3-9,13H,10-12,18H2,1-2H3
InChIKeyLJIDAMNYEKZKOM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.83
Rot. Bonds7

About 1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine

1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine (PubChem CID 102940231) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine
PubChem CID102940231
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCOCc2ccccc2)c(CC(C)N)n1
InChIInChI=1S/C17H22N2O2/c1-13(18)10-16-17(9-8-14(2)19-16)21-12-20-11-15-6-4-3-5-7-15/h3-9,13H,10-12,18H2,1-2H3
InChIKeyLJIDAMNYEKZKOM-UHFFFAOYSA-N
XLogP2.83
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]propan-2-amine
CID 106705649
1-[6-methyl-3-(3-phenylprop-2-ynoxy)-2-pyridinyl]propan-2-amine
CID 79164896
1-[3-[(3-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169165
1-(6-methyl-3-propoxy-2-pyridinyl)propan-2-amine
CID 79168995
1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine
CID 79169247
6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid
CID 102939706
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79164689
1-[6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79169332
1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine
CID 79168592
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79169666
2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylacetamide
CID 79169746

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine (CID 102940231) is 1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine is Cc1ccc(OCOCc2ccccc2)c(CC(C)N)n1.
What is the InChIKey of 1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine?
The InChIKey is LJIDAMNYEKZKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(18)10-16-17(9-8-14(2)19-16)21-12-20-11-15-6-4-3-5-7-15/h3-9,13H,10-12,18H2,1-2H3.
What are the key properties of 1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine?
1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 102940231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).