(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium

C16H22NO3+ — CID 7458290

IUPAC(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
SMILESCCOc1ccc(C[NH2+]Cc2ccco2)cc1OCC
InChIInChI=1S/C16H21NO3/c1-3-18-15-8-7-13(10-16(15)19-4-2)11-17-12-14-6-5-9-20-14/h5-10,17H,3-4,11-12H2,1-2H3/p+1
InChIKeyDWUDXMQLODICBH-UHFFFAOYSA-O
MW276.36 g/mol
LogP2.34
Rot. Bonds8

About (3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium

(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium (PubChem CID 7458290) has the molecular formula C16H22NO3+ and a molecular weight of 276.36 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
PubChem CID7458290
Molecular FormulaC16H22NO3+
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
SMILESCCOc1ccc(C[NH2+]Cc2ccco2)cc1OCC
InChIInChI=1S/C16H21NO3/c1-3-18-15-8-7-13(10-16(15)19-4-2)11-17-12-14-6-5-9-20-14/h5-10,17H,3-4,11-12H2,1-2H3/p+1
InChIKeyDWUDXMQLODICBH-UHFFFAOYSA-O
XLogP2.34
TPSA48.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium
CID 7458277
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium
CID 7425090
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium
CID 7458263
(3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 7449497
benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium
CID 7951691
(4-ethoxy-3-methoxyphenyl)methyl-[(3R)-3-(furan-2-yl)-6-methylheptyl]azanium
CID 7581729
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119106566
(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8636164
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 16770566
1,3-benzodioxol-5-ylmethyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium
CID 7458480
(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8635968
1-(3,4-diethoxyphenyl)-2-(furan-2-yl)ethanamine
CID 105029319

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium?
The IUPAC name of (3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium (CID 7458290) is (3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium.
What is the SMILES notation for (3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium?
The canonical SMILES for (3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium is CCOc1ccc(C[NH2+]Cc2ccco2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium?
The InChIKey is DWUDXMQLODICBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21NO3/c1-3-18-15-8-7-13(10-16(15)19-4-2)11-17-12-14-6-5-9-20-14/h5-10,17H,3-4,11-12H2,1-2H3/p+1.
What are the key properties of (3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium?
(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium has a molecular weight of 276.36 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 7458290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).