1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine

C12H15NS — CID 43150910

IUPAC1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1csc2ccccc12
InChIInChI=1S/C12H15NS/c1-8(2)12(13)10-7-14-11-6-4-3-5-9(10)11/h3-8,12H,13H2,1-2H3
InChIKeyXFWYIYJLLJUDEY-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.56
Rot. Bonds2

About 1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine

1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine (PubChem CID 43150910) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
PubChem CID43150910
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1csc2ccccc12
InChIInChI=1S/C12H15NS/c1-8(2)12(13)10-7-14-11-6-4-3-5-9(10)11/h3-8,12H,13H2,1-2H3
InChIKeyXFWYIYJLLJUDEY-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 29081655
1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine
CID 63833767
1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 116914688
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
ethyl (3S)-3-amino-3-(1-benzothiophen-3-yl)-2-fluoropropanoate;hydrochloride
CID 171248065
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
3-(dibromomethyl)-1-benzothiophene
CID 175195145
3-[1-benzothiophen-3-yl(chloro)methyl]-1-benzothiophene
CID 63433274
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
CID 43166668

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine (CID 43150910) is 1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine is CC(C)C(N)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine?
The InChIKey is XFWYIYJLLJUDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-8(2)12(13)10-7-14-11-6-4-3-5-9(10)11/h3-8,12H,13H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine?
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine has a molecular weight of 205.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 43150910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).