6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine

C12H15NOS — CID 10656614

IUPAC6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine
SMILESCOc1cc2sc(N(C)C)cc2cc1C
InChIInChI=1S/C12H15NOS/c1-8-5-9-6-12(13(2)3)15-11(9)7-10(8)14-4/h5-7H,1-4H3
InChIKeyUBWIAVOLEIEXJH-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.28
Rot. Bonds2

About 6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine

6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine (PubChem CID 10656614) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine
PubChem CID10656614
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine
SMILESCOc1cc2sc(N(C)C)cc2cc1C
InChIInChI=1S/C12H15NOS/c1-8-5-9-6-12(13(2)3)15-11(9)7-10(8)14-4/h5-7H,1-4H3
InChIKeyUBWIAVOLEIEXJH-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine?
The IUPAC name of 6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine (CID 10656614) is 6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine.
What is the SMILES notation for 6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine?
The canonical SMILES for 6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine is COc1cc2sc(N(C)C)cc2cc1C.
What is the InChIKey of 6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine?
The InChIKey is UBWIAVOLEIEXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-8-5-9-6-12(13(2)3)15-11(9)7-10(8)14-4/h5-7H,1-4H3.
What are the key properties of 6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine?
6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine has a molecular weight of 221.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine is sourced from PubChem (CID 10656614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).