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

C16H20N2O2 — CID 81250422

IUPACN-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1Oc1ccccc1OCC
InChIInChI=1S/C16H20N2O2/c1-3-17-11-13-12-18-10-9-14(13)20-16-8-6-5-7-15(16)19-4-2/h5-10,12,17H,3-4,11H2,1-2H3
InChIKeyMXXBVLGHADZBTI-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.38
Rot. Bonds7

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

N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 81250422) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID81250422
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1Oc1ccccc1OCC
InChIInChI=1S/C16H20N2O2/c1-3-17-11-13-12-18-10-9-14(13)20-16-8-6-5-7-15(16)19-4-2/h5-10,12,17H,3-4,11H2,1-2H3
InChIKeyMXXBVLGHADZBTI-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-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075242
N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 116690059
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine
CID 81255386
N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075332
N-[[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250588
N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81251297
N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075595
N-[[4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]ethanamine
CID 116793323
1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81250426
N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250606
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine (CID 81250422) is N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cnccc1Oc1ccccc1OCC.
What is the InChIKey of N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is MXXBVLGHADZBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-17-11-13-12-18-10-9-14(13)20-16-8-6-5-7-15(16)19-4-2/h5-10,12,17H,3-4,11H2,1-2H3.
What are the key properties of N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[4-(2-ethoxyphenoxy)-3-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-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81250422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).