2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine

C15H21NS — CID 113478802

IUPAC2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
SMILESc1ccc2c(c1)SCC2CNCCC1CCC1
InChIInChI=1S/C15H21NS/c1-2-7-15-14(6-1)13(11-17-15)10-16-9-8-12-4-3-5-12/h1-2,6-7,12-13,16H,3-5,8-11H2
InChIKeyOCMTZSHXEVSTNO-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.66
Rot. Bonds5

About 2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine

2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine (PubChem CID 113478802) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
PubChem CID113478802
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
SMILESc1ccc2c(c1)SCC2CNCCC1CCC1
InChIInChI=1S/C15H21NS/c1-2-7-15-14(6-1)13(11-17-15)10-16-9-8-12-4-3-5-12/h1-2,6-7,12-13,16H,3-5,8-11H2
InChIKeyOCMTZSHXEVSTNO-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515366
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 79220623
1-(3-chlorocyclohexyl)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 106122919
3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-1-ol
CID 79220922
3-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)butan-1-amine
CID 79226615
4-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)butanoic acid
CID 79221635
2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 79227088
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine
CID 79224724
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-5-methylhexan-1-amine
CID 113287462
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,2-difluoroethanamine
CID 115406592
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine (CID 113478802) is 2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine is c1ccc2c(c1)SCC2CNCCC1CCC1.
What is the InChIKey of 2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine?
The InChIKey is OCMTZSHXEVSTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-2-7-15-14(6-1)13(11-17-15)10-16-9-8-12-4-3-5-12/h1-2,6-7,12-13,16H,3-5,8-11H2.
What are the key properties of 2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine?
2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine has a molecular weight of 247.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 113478802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).