2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine

C17H22N2O2 — CID 79789244

IUPAC2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCc2ccccc2C)cn1
InChIInChI=1S/C17H22N2O2/c1-14-5-3-4-6-15(14)13-21-17-8-7-16(19-12-17)11-18-9-10-20-2/h3-8,12,18H,9-11,13H2,1-2H3
InChIKeyPYPVXWOPSLPYOS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.71
Rot. Bonds8

About 2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine

2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine (PubChem CID 79789244) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
PubChem CID79789244
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCc2ccccc2C)cn1
InChIInChI=1S/C17H22N2O2/c1-14-5-3-4-6-15(14)13-21-17-8-7-16(19-12-17)11-18-9-10-20-2/h3-8,12,18H,9-11,13H2,1-2H3
InChIKeyPYPVXWOPSLPYOS-UHFFFAOYSA-N
XLogP2.71
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine with MolForge

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Launch Full Analysis

Related Compounds

2-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]ethanamine
CID 79794826
2-methoxy-N-[[5-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79789500
2-methoxy-N-[[5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79794476
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79793851
N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
CID 104796402
2-methoxy-N-[[5-(pyridin-4-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79794479
2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79794391
6-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]hexan-1-ol
CID 107702731
N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79793947
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79794829
N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 114345815
N-[[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783997

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine (CID 79789244) is 2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine is COCCNCc1ccc(OCc2ccccc2C)cn1.
What is the InChIKey of 2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The InChIKey is PYPVXWOPSLPYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-14-5-3-4-6-15(14)13-21-17-8-7-16(19-12-17)11-18-9-10-20-2/h3-8,12,18H,9-11,13H2,1-2H3.
What are the key properties of 2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79789244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).