1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine

C13H17NS — CID 81154241

IUPAC1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cccc2ccsc12
InChIInChI=1S/C13H17NS/c1-3-9(2)12(14)11-6-4-5-10-7-8-15-13(10)11/h4-9,12H,3,14H2,1-2H3
InChIKeyQFIJZAXYMNPCLV-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.95
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine

1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine (PubChem CID 81154241) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
PubChem CID81154241
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1cccc2ccsc12
InChIInChI=1S/C13H17NS/c1-3-9(2)12(14)11-6-4-5-10-7-8-15-13(10)11/h4-9,12H,3,14H2,1-2H3
InChIKeyQFIJZAXYMNPCLV-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine
CID 105022064
1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine
CID 105021997
1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116722960
methyl 2-(1-benzothiophen-7-yl)butanoate
CID 81147486
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
[1-(1-benzothiophen-7-yl)-2-ethoxybutyl]hydrazine
CID 105270974
1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032936
7-(1-chlorobutyl)-1-benzothiophene
CID 126973958
7-(4-bromopentan-2-yl)-1-benzothiophene
CID 81148326
[1-(1-benzothiophen-7-yl)-2-methylpropyl]hydrazine
CID 105199493
7-octan-2-yl-1-benzothiophene
CID 170009211
1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine
CID 116770542

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine (CID 81154241) is 1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine is CCC(C)C(N)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine?
The InChIKey is QFIJZAXYMNPCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-3-9(2)12(14)11-6-4-5-10-7-8-15-13(10)11/h4-9,12H,3,14H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine?
1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 81154241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).