N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine

C17H23NO2S — CID 62598944

IUPACN-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine
SMILESCOCCc1ccc(OCCNCCc2cccs2)cc1
InChIInChI=1S/C17H23NO2S/c1-19-12-9-15-4-6-16(7-5-15)20-13-11-18-10-8-17-3-2-14-21-17/h2-7,14,18H,8-13H2,1H3
InChIKeyUCRNDRDRVCCQRI-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.15
Rot. Bonds10

About N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine

N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine (PubChem CID 62598944) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine
PubChem CID62598944
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine
SMILESCOCCc1ccc(OCCNCCc2cccs2)cc1
InChIInChI=1S/C17H23NO2S/c1-19-12-9-15-4-6-16(7-5-15)20-13-11-18-10-8-17-3-2-14-21-17/h2-7,14,18H,8-13H2,1H3
InChIKeyUCRNDRDRVCCQRI-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
N-[2-(3-methoxyphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 62572275
3-[2-[4-(2-thiophen-2-ylethoxy)phenyl]ethylamino]propanoic acid
CID 23121591
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine
CID 55093446
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62597043
2-[4-(2-methoxyethyl)phenoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62597904
1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111349668
N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine
CID 62598072
N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]-2-thiophen-2-ylethanamine
CID 116803900
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
N-[2-(2-fluoro-3-methylphenoxy)ethyl]-2-thiophen-2-ylethanamine
CID 107661497
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62564771

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine (CID 62598944) is N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine is COCCc1ccc(OCCNCCc2cccs2)cc1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is UCRNDRDRVCCQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-19-12-9-15-4-6-16(7-5-15)20-13-11-18-10-8-17-3-2-14-21-17/h2-7,14,18H,8-13H2,1H3.
What are the key properties of N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine?
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 305.44 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62598944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).