N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine

C16H20N2O2 — CID 105075595

IUPACN-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1Oc1cccc(OCC)c1
InChIInChI=1S/C16H20N2O2/c1-3-17-11-13-8-9-18-12-16(13)20-15-7-5-6-14(10-15)19-4-2/h5-10,12,17H,3-4,11H2,1-2H3
InChIKeyDNOPOVVNLWBBIS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.38
Rot. Bonds7

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

N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 105075595) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID105075595
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1Oc1cccc(OCC)c1
InChIInChI=1S/C16H20N2O2/c1-3-17-11-13-8-9-18-12-16(13)20-15-7-5-6-14(10-15)19-4-2/h5-10,12,17H,3-4,11H2,1-2H3
InChIKeyDNOPOVVNLWBBIS-UHFFFAOYSA-N
XLogP3.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075483
N-[[3-(4-fluoro-3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075869
N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 105075984
1-[3-(4-ethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075216
N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075332
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075399
N-[[3-(2,4,5-trichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075180
N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253545
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074911
N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075242
N-[[3-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075441

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine (CID 105075595) is N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1ccncc1Oc1cccc(OCC)c1.
What is the InChIKey of N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is DNOPOVVNLWBBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-17-11-13-8-9-18-12-16(13)20-15-7-5-6-14(10-15)19-4-2/h5-10,12,17H,3-4,11H2,1-2H3.
What are the key properties of N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 272.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105075595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).