1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine

C17H23NO3S — CID 54849867

IUPAC1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCCOCCOc1c(CNCc2cccs2)cccc1OC
InChIInChI=1S/C17H23NO3S/c1-3-20-9-10-21-17-14(6-4-8-16(17)19-2)12-18-13-15-7-5-11-22-15/h4-8,11,18H,3,9-10,12-13H2,1-2H3
InChIKeyUWOILRUNJFYDBQ-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.46
Rot. Bonds10

About 1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine

1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 54849867) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID54849867
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCCOCCOc1c(CNCc2cccs2)cccc1OC
InChIInChI=1S/C17H23NO3S/c1-3-20-9-10-21-17-14(6-4-8-16(17)19-2)12-18-13-15-7-5-11-22-15/h4-8,11,18H,3,9-10,12-13H2,1-2H3
InChIKeyUWOILRUNJFYDBQ-UHFFFAOYSA-N
XLogP3.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43221014
N-[[3-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]methyl]propan-1-amine
CID 63775094
1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 3162096
1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4716137
1-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54850202
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine
CID 54807521
N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
CID 29228055
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950
N-[[3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449862
1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine
CID 106449857
1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54798960

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine (CID 54849867) is 1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine is CCOCCOc1c(CNCc2cccs2)cccc1OC.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is UWOILRUNJFYDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-3-20-9-10-21-17-14(6-4-8-16(17)19-2)12-18-13-15-7-5-11-22-15/h4-8,11,18H,3,9-10,12-13H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine?
1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 321.44 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 54849867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).