1-(4-methoxythiophen-2-yl)octan-1-amine

C13H23NOS — CID 115832439

IUPAC1-(4-methoxythiophen-2-yl)octan-1-amine
SMILESCCCCCCCC(N)c1cc(OC)cs1
InChIInChI=1S/C13H23NOS/c1-3-4-5-6-7-8-12(14)13-9-11(15-2)10-16-13/h9-10,12H,3-8,14H2,1-2H3
InChIKeyCDRRDOYAPRIDNN-UHFFFAOYSA-N
MW241.40 g/mol
LogP4.12
Rot. Bonds8

About 1-(4-methoxythiophen-2-yl)octan-1-amine

1-(4-methoxythiophen-2-yl)octan-1-amine (PubChem CID 115832439) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-(4-methoxythiophen-2-yl)octan-1-amine.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)octan-1-amine
PubChem CID115832439
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-(4-methoxythiophen-2-yl)octan-1-amine
SMILESCCCCCCCC(N)c1cc(OC)cs1
InChIInChI=1S/C13H23NOS/c1-3-4-5-6-7-8-12(14)13-9-11(15-2)10-16-13/h9-10,12H,3-8,14H2,1-2H3
InChIKeyCDRRDOYAPRIDNN-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 115832999
N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine
CID 115835766
1-(4-methoxythiophen-2-yl)pentan-1-ol
CID 115783270
1-(4-methoxythiophen-2-yl)-N-methylpentan-1-amine
CID 115833083
1-(3,5-dimethoxyphenyl)decan-1-amine
CID 115831732
1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829185
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105024721
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
CID 54880583
[1-(4-methoxythiophen-2-yl)-2-methylpentyl]hydrazine
CID 107896030
(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171215785

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)octan-1-amine?
The IUPAC name of 1-(4-methoxythiophen-2-yl)octan-1-amine (CID 115832439) is 1-(4-methoxythiophen-2-yl)octan-1-amine.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)octan-1-amine?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)octan-1-amine is CCCCCCCC(N)c1cc(OC)cs1.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)octan-1-amine?
The InChIKey is CDRRDOYAPRIDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-3-4-5-6-7-8-12(14)13-9-11(15-2)10-16-13/h9-10,12H,3-8,14H2,1-2H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)octan-1-amine?
1-(4-methoxythiophen-2-yl)octan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophen-2-yl)octan-1-amine is sourced from PubChem (CID 115832439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).