N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine

C14H23NO2S — CID 115847088

IUPACN-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1sccc1OC
InChIInChI=1S/C14H23NO2S/c1-3-15-12(10-11-4-7-17-8-5-11)14-13(16-2)6-9-18-14/h6,9,11-12,15H,3-5,7-8,10H2,1-2H3
InChIKeyOJLNVQUKBOGYOR-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.22
Rot. Bonds6

About N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine

N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 115847088) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine
PubChem CID115847088
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1sccc1OC
InChIInChI=1S/C14H23NO2S/c1-3-15-12(10-11-4-7-17-8-5-11)14-13(16-2)6-9-18-14/h6,9,11-12,15H,3-5,7-8,10H2,1-2H3
InChIKeyOJLNVQUKBOGYOR-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 104986393
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 105012929
N-ethyl-1-(3-methoxy-4-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 105065449
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
N-[1-(2-methoxyphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 62608474
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138597
N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine
CID 105001098
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 107361859
N-[(3-methoxythiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105016929
1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987375

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine (CID 115847088) is N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)c1sccc1OC.
What is the InChIKey of N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is OJLNVQUKBOGYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-15-12(10-11-4-7-17-8-5-11)14-13(16-2)6-9-18-14/h6,9,11-12,15H,3-5,7-8,10H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine?
N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115847088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).