[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium

C18H24NO3+ — CID 4712225

IUPAC[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium
SMILESCCOc1ccc(C([NH3+])c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C18H23NO3/c1-4-21-16-11-8-14(12-17(16)22-5-2)18(19)13-6-9-15(20-3)10-7-13/h6-12,18H,4-5,19H2,1-3H3/p+1
InChIKeyMGSHIGRWZHSRMW-UHFFFAOYSA-O
MW302.39 g/mol
LogP2.82
Rot. Bonds7

About [(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium

[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium (PubChem CID 4712225) has the molecular formula C18H24NO3+ and a molecular weight of 302.39 g/mol. Its IUPAC name is [(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium
PubChem CID4712225
Molecular FormulaC18H24NO3+
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium
SMILESCCOc1ccc(C([NH3+])c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C18H23NO3/c1-4-21-16-11-8-14(12-17(16)22-5-2)18(19)13-6-9-15(20-3)10-7-13/h6-12,18H,4-5,19H2,1-3H3/p+1
InChIKeyMGSHIGRWZHSRMW-UHFFFAOYSA-O
XLogP2.82
TPSA55.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium chloride
CID 23004770
[(3,4-diethoxyphenyl)-phenylmethyl]azanium
CID 4712217
[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]azanium chloride
CID 23004771
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]azanium
CID 142314842
2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene
CID 118066872
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 46649897
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559
(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391240
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222

Frequently Asked Questions

What is the IUPAC name of [(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium?
The IUPAC name of [(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium (CID 4712225) is [(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for [(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for [(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium is CCOc1ccc(C([NH3+])c2ccc(OC)cc2)cc1OCC.
What is the InChIKey of [(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium?
The InChIKey is MGSHIGRWZHSRMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23NO3/c1-4-21-16-11-8-14(12-17(16)22-5-2)18(19)13-6-9-15(20-3)10-7-13/h6-12,18H,4-5,19H2,1-3H3/p+1.
What are the key properties of [(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium?
[(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium has a molecular weight of 302.39 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-diethoxyphenyl)-(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 4712225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).