1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine

C13H17NS — CID 63738839

IUPAC1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1csc2ccccc12)NC
InChIInChI=1S/C13H17NS/c1-3-11(14-2)8-10-9-15-13-7-5-4-6-12(10)13/h4-7,9,11,14H,3,8H2,1-2H3
InChIKeyXDOBFUUEPYXSSI-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.44
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine

1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine (PubChem CID 63738839) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
PubChem CID63738839
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1csc2ccccc12)NC
InChIInChI=1S/C13H17NS/c1-3-11(14-2)8-10-9-15-13-7-5-4-6-12(10)13/h4-7,9,11,14H,3,8H2,1-2H3
InChIKeyXDOBFUUEPYXSSI-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738
1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine
CID 63889811
1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine
CID 63737912
1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 63739349
1-(1-benzothiophen-3-yl)-N-methyl-3-propylhexan-2-amine
CID 115823570
3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
CID 63739036
N-(1-benzothiophen-3-ylmethyl)hexan-3-amine
CID 62698113
1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine
CID 79412102
3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 63738810
2-(1-benzothiophen-3-ylmethyl)butanenitrile
CID 116931610
3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244750

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine (CID 63738839) is 1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine is CCC(Cc1csc2ccccc12)NC.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine?
The InChIKey is XDOBFUUEPYXSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-3-11(14-2)8-10-9-15-13-7-5-4-6-12(10)13/h4-7,9,11,14H,3,8H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine?
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine has a molecular weight of 219.35 g/mol, XLogP of 3.44, 4 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)-N-methylbutan-2-amine is sourced from PubChem (CID 63738839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).