N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine

C15H18N2O — CID 105075332

IUPACN-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1Oc1ccccc1C
InChIInChI=1S/C15H18N2O/c1-3-16-10-13-8-9-17-11-15(13)18-14-7-5-4-6-12(14)2/h4-9,11,16H,3,10H2,1-2H3
InChIKeySXSFXNMWEUEPRY-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.29
Rot. Bonds5

About N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine

N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 105075332) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID105075332
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1Oc1ccccc1C
InChIInChI=1S/C15H18N2O/c1-3-16-10-13-8-9-17-11-15(13)18-14-7-5-4-6-12(14)2/h4-9,11,16H,3,10H2,1-2H3
InChIKeySXSFXNMWEUEPRY-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075441
2-methyl-N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075329
N-[[3-(2,4,5-trichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075180
N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075462
N-[[3-fluoro-2-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391185
N-[[3-(4-fluoro-3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075869
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075595
N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075242
N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250422
N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075483
N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 105075984

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine (CID 105075332) is N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1ccncc1Oc1ccccc1C.
What is the InChIKey of N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is SXSFXNMWEUEPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-16-10-13-8-9-17-11-15(13)18-14-7-5-4-6-12(14)2/h4-9,11,16H,3,10H2,1-2H3.
What are the key properties of N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 242.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105075332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).