4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine

C20H29NO2S — CID 146386383

IUPAC4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine
SMILESCCC(C)c1cc2ccsc2cc1OCCCCN1CCOCC1
InChIInChI=1S/C20H29NO2S/c1-3-16(2)18-14-17-6-13-24-20(17)15-19(18)23-10-5-4-7-21-8-11-22-12-9-21/h6,13-16H,3-5,7-12H2,1-2H3
InChIKeyGGAZQLQFIMXLTM-UHFFFAOYSA-N
MW347.52 g/mol
LogP4.91
Rot. Bonds8

About 4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine

4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine (PubChem CID 146386383) has the molecular formula C20H29NO2S and a molecular weight of 347.52 g/mol. Its IUPAC name is 4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine.

Molecular Properties

Compound Name4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine
PubChem CID146386383
Molecular FormulaC20H29NO2S
Molecular Weight347.52 g/mol
Exact Mass347.19
IUPAC Name4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine
SMILESCCC(C)c1cc2ccsc2cc1OCCCCN1CCOCC1
InChIInChI=1S/C20H29NO2S/c1-3-16(2)18-14-17-6-13-24-20(17)15-19(18)23-10-5-4-7-21-8-11-22-12-9-21/h6,13-16H,3-5,7-12H2,1-2H3
InChIKeyGGAZQLQFIMXLTM-UHFFFAOYSA-N
XLogP4.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
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-(1-benzothiophen-6-yloxy)butyl]morpholine
CID 153402706
4-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]morpholine
CID 2923927
4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
CID 2994701
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
1-[3-(3-butan-2-yl-4-propoxyphenyl)propyl]-4-methylpiperazine
CID 170863779
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine
CID 2924362
4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride
CID 2994248
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
N-ethyl-1-[4-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 63640833

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine?
The IUPAC name of 4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine (CID 146386383) is 4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine.
What is the SMILES notation for 4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine?
The canonical SMILES for 4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine is CCC(C)c1cc2ccsc2cc1OCCCCN1CCOCC1.
What is the InChIKey of 4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine?
The InChIKey is GGAZQLQFIMXLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2S/c1-3-16(2)18-14-17-6-13-24-20(17)15-19(18)23-10-5-4-7-21-8-11-22-12-9-21/h6,13-16H,3-5,7-12H2,1-2H3.
What are the key properties of 4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine?
4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine has a molecular weight of 347.52 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-butan-2-yl-1-benzothiophen-6-yl)oxy]butyl]morpholine is sourced from PubChem (CID 146386383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).