(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium

C22H25N2O2+ — CID 4086182

IUPAC(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
SMILESCCOc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-2-25-21-12-6-11-20(16-24-15-19-10-7-13-23-14-19)22(21)26-17-18-8-4-3-5-9-18/h3-14,24H,2,15-17H2,1H3/p+1
InChIKeyDUZSQFRRHSRGNQ-UHFFFAOYSA-O
MW349.45 g/mol
LogP3.32
Rot. Bonds9

About (3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium

(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium (PubChem CID 4086182) has the molecular formula C22H25N2O2+ and a molecular weight of 349.45 g/mol. Its IUPAC name is (3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium.

Molecular Properties

Compound Name(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
PubChem CID4086182
Molecular FormulaC22H25N2O2+
Molecular Weight349.45 g/mol
Exact Mass349.19
IUPAC Name(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
SMILESCCOc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-2-25-21-12-6-11-20(16-24-15-19-10-7-13-23-14-19)22(21)26-17-18-8-4-3-5-9-18/h3-14,24H,2,15-17H2,1H3/p+1
InChIKeyDUZSQFRRHSRGNQ-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

(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090047
(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8637363
(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228103
2-(3-ethoxy-2-phenylmethoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299444
N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43278943
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491
1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine
CID 63264581
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 53350927
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8637284
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090046

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The IUPAC name of (3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium (CID 4086182) is (3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium.
What is the SMILES notation for (3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The canonical SMILES for (3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium is CCOc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccccc1.
What is the InChIKey of (3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
The InChIKey is DUZSQFRRHSRGNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N2O2/c1-2-25-21-12-6-11-20(16-24-15-19-10-7-13-23-14-19)22(21)26-17-18-8-4-3-5-9-18/h3-14,24H,2,15-17H2,1H3/p+1.
What are the key properties of (3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium?
(3-ethoxy-2-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-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium is sourced from PubChem (CID 4086182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).