(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium

C22H25N2O2+ — CID 7228103

IUPAC(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
SMILESCCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-2-25-22-13-19(14-24-16-20-9-6-12-23-15-20)10-11-21(22)26-17-18-7-4-3-5-8-18/h3-13,15,24H,2,14,16-17H2,1H3/p+1
InChIKeyAJMWBZUYOWVWOF-UHFFFAOYSA-O
MW349.45 g/mol
LogP3.32
Rot. Bonds9

About (3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium

(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium (PubChem CID 7228103) has the molecular formula C22H25N2O2+ and a molecular weight of 349.45 g/mol. Its IUPAC name is (3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium.

Molecular Properties

Compound Name(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
PubChem CID7228103
Molecular FormulaC22H25N2O2+
Molecular Weight349.45 g/mol
Exact Mass349.19
IUPAC Name(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
SMILESCCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-2-25-22-13-19(14-24-16-20-9-6-12-23-15-20)10-11-21(22)26-17-18-7-4-3-5-8-18/h3-13,15,24H,2,14,16-17H2,1H3/p+1
InChIKeyAJMWBZUYOWVWOF-UHFFFAOYSA-O
XLogP3.32
TPSA47.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8635968
1,3-benzodioxol-5-ylmethyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium
CID 7458480
(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4086182
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 6473319
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 17054958
(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090047
(3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 7449497
(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090046
1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 6473316
benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium
CID 7951691
[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635379
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The IUPAC name of (3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium (CID 7228103) is (3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium.
What is the SMILES notation for (3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The canonical SMILES for (3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium is CCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccccc1.
What is the InChIKey of (3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The InChIKey is AJMWBZUYOWVWOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N2O2/c1-2-25-22-13-19(14-24-16-20-9-6-12-23-15-20)10-11-21(22)26-17-18-7-4-3-5-8-18/h3-13,15,24H,2,14,16-17H2,1H3/p+1.
What are the key properties of (3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium has a molecular weight of 349.45 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium is sourced from PubChem (CID 7228103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).