1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine

C14H19NS — CID 105022064

IUPAC1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)C(N)c1cccc2ccsc12
InChIInChI=1S/C14H19NS/c1-9(2)10(3)13(15)12-6-4-5-11-7-8-16-14(11)12/h4-10,13H,15H2,1-3H3
InChIKeyBNCSJAYAKPLVLF-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.19
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine

1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine (PubChem CID 105022064) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine
PubChem CID105022064
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)C(N)c1cccc2ccsc12
InChIInChI=1S/C14H19NS/c1-9(2)10(3)13(15)12-6-4-5-11-7-8-16-14(11)12/h4-10,13H,15H2,1-3H3
InChIKeyBNCSJAYAKPLVLF-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
CID 81154241
1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine
CID 105021997
[1-(1-benzothiophen-7-yl)-2-methylpropyl]hydrazine
CID 105199493
2-(1-benzothiophen-7-yl)-3-methylbutanoic acid
CID 81147123
1-(1-benzothiophen-7-yl)-2-methylpropane-1,2-diol
CID 103448864
1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116722960
1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
CID 107102914
7-(4-bromopentan-2-yl)-1-benzothiophene
CID 81148326
[1-(1-benzothiophen-7-yl)-2-methoxypropyl]hydrazine
CID 105246859
1-benzothiophen-7-yl-(4-bromophenyl)methanamine
CID 81153674
1-benzothiophen-7-yl-(3-propan-2-yloxyphenyl)methanamine
CID 105021793
1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032936

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine (CID 105022064) is 1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine is CC(C)C(C)C(N)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine?
The InChIKey is BNCSJAYAKPLVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-9(2)10(3)13(15)12-6-4-5-11-7-8-16-14(11)12/h4-10,13H,15H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine?
1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 4.19, 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)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 105022064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).