[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine

C16H20N2O2 — CID 60891453

IUPAC[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
SMILESCCOc1cccc(CN)c1OCCc1ccccn1
InChIInChI=1S/C16H20N2O2/c1-2-19-15-8-5-6-13(12-17)16(15)20-11-9-14-7-3-4-10-18-14/h3-8,10H,2,9,11-12,17H2,1H3
InChIKeyPMZKHZJNYVGLDM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.56
Rot. Bonds7

About [3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine

[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine (PubChem CID 60891453) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
PubChem CID60891453
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine
SMILESCCOc1cccc(CN)c1OCCc1ccccn1
InChIInChI=1S/C16H20N2O2/c1-2-19-15-8-5-6-13(12-17)16(15)20-11-9-14-7-3-4-10-18-14/h3-8,10H,2,9,11-12,17H2,1H3
InChIKeyPMZKHZJNYVGLDM-UHFFFAOYSA-N
XLogP2.56
TPSA57.37 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43366814
[3-ethoxy-2-(3-ethylsulfanylpropoxy)phenyl]methanamine
CID 113473255
2-[2-[2-(aminomethyl)-6-ethoxyphenoxy]ethoxy]ethanol
CID 61069210
5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile
CID 54966365
[2-[3-(2-pyridin-2-ylethoxy)propoxy]phenyl]methanamine
CID 43254444
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
CID 63949294
2-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
(2-ethoxyphenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium
CID 4582205
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine?
The IUPAC name of [3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine (CID 60891453) is [3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine?
The canonical SMILES for [3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine is CCOc1cccc(CN)c1OCCc1ccccn1.
What is the InChIKey of [3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine?
The InChIKey is PMZKHZJNYVGLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-19-15-8-5-6-13(12-17)16(15)20-11-9-14-7-3-4-10-18-14/h3-8,10H,2,9,11-12,17H2,1H3.
What are the key properties of [3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine?
[3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2-(2-pyridin-2-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 60891453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).