4-propan-2-yl-1-benzothiophen-2-amine

C11H13NS — CID 163391702

IUPAC4-propan-2-yl-1-benzothiophen-2-amine
SMILESCC(C)c1cccc2sc(N)cc12
InChIInChI=1S/C11H13NS/c1-7(2)8-4-3-5-10-9(8)6-11(12)13-10/h3-7H,12H2,1-2H3
InChIKeyJFMFXHHAYBZUOW-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.61
Rot. Bonds1

About 4-propan-2-yl-1-benzothiophen-2-amine

4-propan-2-yl-1-benzothiophen-2-amine (PubChem CID 163391702) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-propan-2-yl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-1-benzothiophen-2-amine
PubChem CID163391702
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name4-propan-2-yl-1-benzothiophen-2-amine
SMILESCC(C)c1cccc2sc(N)cc12
InChIInChI=1S/C11H13NS/c1-7(2)8-4-3-5-10-9(8)6-11(12)13-10/h3-7H,12H2,1-2H3
InChIKeyJFMFXHHAYBZUOW-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-benzothiophen-2-amine?
The IUPAC name of 4-propan-2-yl-1-benzothiophen-2-amine (CID 163391702) is 4-propan-2-yl-1-benzothiophen-2-amine.
What is the SMILES notation for 4-propan-2-yl-1-benzothiophen-2-amine?
The canonical SMILES for 4-propan-2-yl-1-benzothiophen-2-amine is CC(C)c1cccc2sc(N)cc12.
What is the InChIKey of 4-propan-2-yl-1-benzothiophen-2-amine?
The InChIKey is JFMFXHHAYBZUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-7(2)8-4-3-5-10-9(8)6-11(12)13-10/h3-7H,12H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-benzothiophen-2-amine?
4-propan-2-yl-1-benzothiophen-2-amine has a molecular weight of 191.30 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-benzothiophen-2-amine is sourced from PubChem (CID 163391702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).