[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium

C19H22NO3S+ — CID 7425090

IUPAC[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium
SMILESCCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1cccs1
InChIInChI=1S/C19H21NO3S/c1-2-21-19-11-15(12-20-13-16-5-3-9-22-16)7-8-18(19)23-14-17-6-4-10-24-17/h3-11,20H,2,12-14H2,1H3/p+1
InChIKeyPWEYTMTYLJRBOJ-UHFFFAOYSA-O
MW344.46 g/mol
LogP3.58
Rot. Bonds9

About [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium

[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium (PubChem CID 7425090) has the molecular formula C19H22NO3S+ and a molecular weight of 344.46 g/mol. Its IUPAC name is [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium
PubChem CID7425090
Molecular FormulaC19H22NO3S+
Molecular Weight344.46 g/mol
Exact Mass344.13
IUPAC Name[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium
SMILESCCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1cccs1
InChIInChI=1S/C19H21NO3S/c1-2-21-19-11-15(12-20-13-16-5-3-9-22-16)7-8-18(19)23-14-17-6-4-10-24-17/h3-11,20H,2,12-14H2,1H3/p+1
InChIKeyPWEYTMTYLJRBOJ-UHFFFAOYSA-O
XLogP3.58
TPSA48.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
CID 7458290
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium
CID 7379837
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium
CID 7458277
cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8621395
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 28535748
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium
CID 7458263
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60657605
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8621344
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;hydrochloride
CID 17290142
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 4723249
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine
CID 4715972
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 2995338

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium?
The IUPAC name of [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium (CID 7425090) is [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium.
What is the SMILES notation for [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium?
The canonical SMILES for [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium is CCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1cccs1.
What is the InChIKey of [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium?
The InChIKey is PWEYTMTYLJRBOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21NO3S/c1-2-21-19-11-15(12-20-13-16-5-3-9-22-16)7-8-18(19)23-14-17-6-4-10-24-17/h3-11,20H,2,12-14H2,1H3/p+1.
What are the key properties of [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium?
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium has a molecular weight of 344.46 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 7425090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).