N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine

C17H23NO2S — CID 107668711

IUPACN-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
SMILESCCc1ccc(OCCNCCc2ccsc2)c(OC)c1
InChIInChI=1S/C17H23NO2S/c1-3-14-4-5-16(17(12-14)19-2)20-10-9-18-8-6-15-7-11-21-13-15/h4-5,7,11-13,18H,3,6,8-10H2,1-2H3
InChIKeyFBSLHPZLTGPCPL-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.53
Rot. Bonds9

About N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine

N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine (PubChem CID 107668711) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
PubChem CID107668711
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
SMILESCCc1ccc(OCCNCCc2ccsc2)c(OC)c1
InChIInChI=1S/C17H23NO2S/c1-3-14-4-5-16(17(12-14)19-2)20-10-9-18-8-6-15-7-11-21-13-15/h4-5,7,11-13,18H,3,6,8-10H2,1-2H3
InChIKeyFBSLHPZLTGPCPL-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.53
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

4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 107668718
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 83140848
4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 107668456
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60976262
N-[2-(2,3-dimethylphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 55088359
2-(4-ethyl-2-methoxyphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107668644
N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 114677020
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline
CID 107668654
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 63517711
N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752889
3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine
CID 82939993
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine (CID 107668711) is N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine is CCc1ccc(OCCNCCc2ccsc2)c(OC)c1.
What is the InChIKey of N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is FBSLHPZLTGPCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-3-14-4-5-16(17(12-14)19-2)20-10-9-18-8-6-15-7-11-21-13-15/h4-5,7,11-13,18H,3,6,8-10H2,1-2H3.
What are the key properties of N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine?
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 305.44 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 107668711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).