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

C12H15NO2S — CID 70373301

IUPACN-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine
SMILESCCNc1cc2c(OC)cc(OC)cc2s1
InChIInChI=1S/C12H15NO2S/c1-4-13-12-7-9-10(15-3)5-8(14-2)6-11(9)16-12/h5-7,13H,4H2,1-3H3
InChIKeyCUPQPDHAKOJPBG-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.35
Rot. Bonds4

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

N-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine (PubChem CID 70373301) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine
PubChem CID70373301
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC NameN-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine
SMILESCCNc1cc2c(OC)cc(OC)cc2s1
InChIInChI=1S/C12H15NO2S/c1-4-13-12-7-9-10(15-3)5-8(14-2)6-11(9)16-12/h5-7,13H,4H2,1-3H3
InChIKeyCUPQPDHAKOJPBG-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

N-(2,4-dimethoxyphenethyl)-N'-(2-thienyl)urea
CID 4101599
4,6-dimethoxy-N,N-dimethyl-1-benzothiophen-2-amine
CID 10657523
Benzo[b]thiophen-2-amine, 6-methoxy-N,N-dimethyl-
CID 10512530
4,6-Dimethoxy-1-benzothiophen-2-amine
CID 131192275
6-methoxy-N,N,5-trimethyl-1-benzothiophen-2-amine
CID 10656614
4-methoxy-N,N-dimethyl-1-benzothiophen-2-amine
CID 10679849
1-(4,6-Dimethoxy-1-benzothiophen-2-yl)ethanamine
CID 53716212
N-ethyl-6,7-dimethoxy-1-benzothiophen-2-amine
CID 67936021
N-ethyl-6-methoxy-1-benzothiophen-2-amine
CID 70373326
N-(6-methoxy-1-benzothiophen-2-yl)acetamide
CID 173334667
N,N-dimethyl-4,6-bis(phenylmethoxy)-1-benzothiophen-2-amine
CID 10883637
N,N-dimethyl-4,6-di(propan-2-yloxy)-1-benzothiophen-2-amine
CID 10924336

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine?
The IUPAC name of N-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine (CID 70373301) is N-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine.
What is the SMILES notation for N-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine?
The canonical SMILES for N-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine is CCNc1cc2c(OC)cc(OC)cc2s1.
What is the InChIKey of N-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine?
The InChIKey is CUPQPDHAKOJPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-4-13-12-7-9-10(15-3)5-8(14-2)6-11(9)16-12/h5-7,13H,4H2,1-3H3.
What are the key properties of N-ethyl-4,6-dimethoxy-1-benzothiophen-2-amine?
N-ethyl-4,6-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-4,6-dimethoxy-1-benzothiophen-2-amine is sourced from PubChem (CID 70373301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).