4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine

C12H15NO2S — CID 10657523

IUPAC4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine
SMILESCOc1cc(OC)c2cc(N(C)C)sc2c1
InChIInChI=1S/C12H15NO2S/c1-13(2)12-7-9-10(15-4)5-8(14-3)6-11(9)16-12/h5-7H,1-4H3
InChIKeyWYSGSRMCLOSYJG-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.98
Rot. Bonds3

About 4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine

4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine (PubChem CID 10657523) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine
PubChem CID10657523
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine
SMILESCOc1cc(OC)c2cc(N(C)C)sc2c1
InChIInChI=1S/C12H15NO2S/c1-13(2)12-7-9-10(15-4)5-8(14-3)6-11(9)16-12/h5-7H,1-4H3
InChIKeyWYSGSRMCLOSYJG-UHFFFAOYSA-N
XLogP2.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Benzyloxy-2-dimethylaminobenzo[b]thiophene
CID 10612994
2-Dimethylamino-5-fluoro-6-methoxybenzo[b]thiophene
CID 10775569
N-(7-fluoro-4-methoxy-1-benzothien-2-yl)-N,N-dimethylamine
CID 22171134
3-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
CID 54191147
4-fluoro-6-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
CID 57191503
Benzo[b]thiophen-2-amine, 6-methoxy-N,N-dimethyl-
CID 10512530
4,6-Dimethoxy-1-benzothiophen-2-amine
CID 131192275
4-(4-Methoxybenzo[b]thiophen-2-yl)morpholine
CID 155288906
6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine
CID 10656614
4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
CID 10679849
6-Allyloxy-2-(dimethylamino)benzo[b]thiophene
CID 21182735
N-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine
CID 70373301

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The IUPAC name of 4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine (CID 10657523) is 4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The canonical SMILES for 4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine is COc1cc(OC)c2cc(N(C)C)sc2c1.
What is the InChIKey of 4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine?
The InChIKey is WYSGSRMCLOSYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-13(2)12-7-9-10(15-4)5-8(14-3)6-11(9)16-12/h5-7H,1-4H3.
What are the key properties of 4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine?
4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine has a molecular weight of 237.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine is sourced from PubChem (CID 10657523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).