N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine

C12H15NO2S — CID 67936021

IUPACN-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine
SMILESCCNc1cc2ccc(OC)c(OC)c2s1
InChIInChI=1S/C12H15NO2S/c1-4-13-10-7-8-5-6-9(14-2)11(15-3)12(8)16-10/h5-7,13H,4H2,1-3H3
InChIKeyKHFQCHSMVKBUKF-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.35
Rot. Bonds4

About N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine

N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine (PubChem CID 67936021) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine
PubChem CID67936021
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC NameN-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine
SMILESCCNc1cc2ccc(OC)c(OC)c2s1
InChIInChI=1S/C12H15NO2S/c1-4-13-10-7-8-5-6-9(14-2)11(15-3)12(8)16-10/h5-7,13H,4H2,1-3H3
InChIKeyKHFQCHSMVKBUKF-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Anilino-5,6-dimethoxy-1-benzothiophene-3-carbonitrile
CID 139193707
N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine
CID 166850415
2-[2-(3,4-Dimethoxyphenyl)ethylamino]-6-fluoro-1-benzothiophene-3-carbonitrile
CID 102585383
N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine
CID 143748302
5-methoxy-N,N-dimethyl-6-phenylmethoxy-1-benzothiophen-2-amine
CID 10519272
1-(6,7-Dimethoxy-1-benzothiophen-2-yl)ethanamine
CID 54364581
N-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine
CID 70373301
N-ethyl-6-methoxy-1-benzothiophen-2-amine
CID 70373326
benzenethiol;N-[(3,4-difluorophenyl)methyl]-7-methoxy-1-benzothiophen-2-amine
CID 143748301
acetaldehyde;7-[2-(diethylamino)ethoxy]-N-methyl-1-benzothiophen-2-amine
CID 145621284
2,3-Dihydrothieno[3,2-h][1,4]benzodioxin-8-amine
CID 148329314
N-(6-methoxy-1-benzothiophen-2-yl)acetamide
CID 173334667

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine?
The IUPAC name of N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine (CID 67936021) is N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine.
What is the SMILES notation for N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine?
The canonical SMILES for N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine is CCNc1cc2ccc(OC)c(OC)c2s1.
What is the InChIKey of N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine?
The InChIKey is KHFQCHSMVKBUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-4-13-10-7-8-5-6-9(14-2)11(15-3)12(8)16-10/h5-7,13H,4H2,1-3H3.
What are the key properties of N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine?
N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine has a molecular weight of 237.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine is sourced from PubChem (CID 67936021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).