(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium

C15H19N2O+ — CID 4090047

IUPAC(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
SMILESCCOc1ccccc1C[NH2+]Cc1cccnc1
InChIInChI=1S/C15H18N2O/c1-2-18-15-8-4-3-7-14(15)12-17-11-13-6-5-9-16-10-13/h3-10,17H,2,11-12H2,1H3/p+1
InChIKeyRYNAEXNJGSTGIL-UHFFFAOYSA-O
MW243.33 g/mol
LogP1.74
Rot. Bonds6

About (2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium

(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium (PubChem CID 4090047) has the molecular formula C15H19N2O+ and a molecular weight of 243.33 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
PubChem CID4090047
Molecular FormulaC15H19N2O+
Molecular Weight243.33 g/mol
Exact Mass243.15
IUPAC Name(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
SMILESCCOc1ccccc1C[NH2+]Cc1cccnc1
InChIInChI=1S/C15H18N2O/c1-2-18-15-8-4-3-7-14(15)12-17-11-13-6-5-9-16-10-13/h3-10,17H,2,11-12H2,1H3/p+1
InChIKeyRYNAEXNJGSTGIL-UHFFFAOYSA-O
XLogP1.74
TPSA38.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4086182
(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090046
(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228103
bis(pyridin-3-ylmethyl)azanium
CID 6946562
(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium
CID 7826978
(3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228189
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 5045085
1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine
CID 63264581
1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190
(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 30070823
pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium
CID 6946563
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The IUPAC name of (2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium (CID 4090047) is (2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium.
What is the SMILES notation for (2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The canonical SMILES for (2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium is CCOc1ccccc1C[NH2+]Cc1cccnc1.
What is the InChIKey of (2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The InChIKey is RYNAEXNJGSTGIL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N2O/c1-2-18-15-8-4-3-7-14(15)12-17-11-13-6-5-9-16-10-13/h3-10,17H,2,11-12H2,1H3/p+1.
What are the key properties of (2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium has a molecular weight of 243.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium is sourced from PubChem (CID 4090047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).