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

C22H26NO3S+ — CID 7379837

IUPAC[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium
SMILESCCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OCc1cccs1
InChIInChI=1S/C22H25NO3S/c1-3-25-22-13-18(8-11-21(22)26-16-20-5-4-12-27-20)15-23-14-17-6-9-19(24-2)10-7-17/h4-13,23H,3,14-16H2,1-2H3/p+1
InChIKeyCRSLUYWIWXHSQM-UHFFFAOYSA-O
MW384.52 g/mol
LogP4.00
Rot. Bonds10

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

[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium (PubChem CID 7379837) has the molecular formula C22H26NO3S+ and a molecular weight of 384.52 g/mol. Its IUPAC name is [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium
PubChem CID7379837
Molecular FormulaC22H26NO3S+
Molecular Weight384.52 g/mol
Exact Mass384.16
IUPAC Name[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium
SMILESCCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OCc1cccs1
InChIInChI=1S/C22H25NO3S/c1-3-25-22-13-18(8-11-21(22)26-16-20-5-4-12-27-20)15-23-14-17-6-9-19(24-2)10-7-17/h4-13,23H,3,14-16H2,1-2H3/p+1
InChIKeyCRSLUYWIWXHSQM-UHFFFAOYSA-O
XLogP4.00
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 2995338
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium
CID 7425090
(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8635968
(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8636164
cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8621395
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 28535748
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 7380519
tert-butyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 6965110
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60657605
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 4723249
[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

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium (CID 7379837) is [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium is CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OCc1cccs1.
What is the InChIKey of [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is CRSLUYWIWXHSQM-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25NO3S/c1-3-25-22-13-18(8-11-21(22)26-16-20-5-4-12-27-20)15-23-14-17-6-9-19(24-2)10-7-17/h4-13,23H,3,14-16H2,1-2H3/p+1.
What are the key properties of [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium?
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 384.52 g/mol, XLogP of 4.00, 10 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-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 7379837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).