N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine

C13H23NO2S — CID 63685883

IUPACN-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
SMILESCCCOCCOCCNCCc1cccs1
InChIInChI=1S/C13H23NO2S/c1-2-8-15-10-11-16-9-7-14-6-5-13-4-3-12-17-13/h3-4,12,14H,2,5-11H2,1H3
InChIKeyNAJMTDJALWRDKN-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.32
Rot. Bonds11

About N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine

N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine (PubChem CID 63685883) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
PubChem CID63685883
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
SMILESCCCOCCOCCNCCc1cccs1
InChIInChI=1S/C13H23NO2S/c1-2-8-15-10-11-16-9-7-14-6-5-13-4-3-12-17-13/h3-4,12,14H,2,5-11H2,1H3
InChIKeyNAJMTDJALWRDKN-UHFFFAOYSA-N
XLogP2.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.32
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

N-(2-phenylmethoxyethyl)-2-thiophen-2-ylethanamine
CID 62565758
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
3-(2-chloroethoxy)-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106306224
N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 65125134
N',N'-bis(2-ethoxyethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 82943589
N-(2-butoxyethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557344
N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62485827
2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106047173
N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine
CID 105150190
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62564771
N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55226541

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine (CID 63685883) is N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine is CCCOCCOCCNCCc1cccs1.
What is the InChIKey of N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is NAJMTDJALWRDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-2-8-15-10-11-16-9-7-14-6-5-13-4-3-12-17-13/h3-4,12,14H,2,5-11H2,1H3.
What are the key properties of N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine?
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 257.40 g/mol, XLogP of 2.32, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 63685883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).