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

C17H22NO2S+ — CID 8621395

IUPACcyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
SMILESCCOc1cc(C[NH2+]C2CC2)ccc1OCc1cccs1
InChIInChI=1S/C17H21NO2S/c1-2-19-17-10-13(11-18-14-6-7-14)5-8-16(17)20-12-15-4-3-9-21-15/h3-5,8-10,14,18H,2,6-7,11-12H2,1H3/p+1
InChIKeyDVCZCAZHEPQZJM-UHFFFAOYSA-O
MW304.44 g/mol
LogP2.95
Rot. Bonds8

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

cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium (PubChem CID 8621395) has the molecular formula C17H22NO2S+ and a molecular weight of 304.44 g/mol. Its IUPAC name is cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
PubChem CID8621395
Molecular FormulaC17H22NO2S+
Molecular Weight304.44 g/mol
Exact Mass304.14
IUPAC Namecyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
SMILESCCOc1cc(C[NH2+]C2CC2)ccc1OCc1cccs1
InChIInChI=1S/C17H21NO2S/c1-2-19-17-10-13(11-18-14-6-7-14)5-8-16(17)20-12-15-4-3-9-21-15/h3-5,8-10,14,18H,2,6-7,11-12H2,1H3/p+1
InChIKeyDVCZCAZHEPQZJM-UHFFFAOYSA-O
XLogP2.95
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 28535748
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium
CID 7379837
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium
CID 7425090
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
tert-butyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 6965110
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-phenylethanamine
CID 4722179
[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-cycloheptylazanium
CID 8637930

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The IUPAC name of cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium (CID 8621395) is cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium.
What is the SMILES notation for cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The canonical SMILES for cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium is CCOc1cc(C[NH2+]C2CC2)ccc1OCc1cccs1.
What is the InChIKey of cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The InChIKey is DVCZCAZHEPQZJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21NO2S/c1-2-19-17-10-13(11-18-14-6-7-14)5-8-16(17)20-12-15-4-3-9-21-15/h3-5,8-10,14,18H,2,6-7,11-12H2,1H3/p+1.
What are the key properties of cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium has a molecular weight of 304.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium is sourced from PubChem (CID 8621395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).