N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine

C17H22N2O2 — CID 105075242

IUPACN-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1Oc1ccccc1OCC
InChIInChI=1S/C17H22N2O2/c1-3-10-18-12-14-9-11-19-13-17(14)21-16-8-6-5-7-15(16)20-4-2/h5-9,11,13,18H,3-4,10,12H2,1-2H3
InChIKeyNWCWYCRUGPQRLP-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.77
Rot. Bonds8

About N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine

N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105075242) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105075242
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1Oc1ccccc1OCC
InChIInChI=1S/C17H22N2O2/c1-3-10-18-12-14-9-11-19-13-17(14)21-16-8-6-5-7-15(16)20-4-2/h5-9,11,13,18H,3-4,10,12H2,1-2H3
InChIKeyNWCWYCRUGPQRLP-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
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-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250422
N-[[3-(2,4,5-trichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075176
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
CID 105063370
N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075332
N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075308
N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075013
N-[[3-(4-bromo-2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075633
N-[[5-(2-ethoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381727
N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075597
N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075595

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine (CID 105075242) is N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccncc1Oc1ccccc1OCC.
What is the InChIKey of N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is NWCWYCRUGPQRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-10-18-12-14-9-11-19-13-17(14)21-16-8-6-5-7-15(16)20-4-2/h5-9,11,13,18H,3-4,10,12H2,1-2H3.
What are the key properties of N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine?
N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105075242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).