1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine

C16H23NOS — CID 79197341

IUPAC1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
SMILESCCNC(Cc1csc2ccccc12)C(C)(C)OC
InChIInChI=1S/C16H23NOS/c1-5-17-15(16(2,3)18-4)10-12-11-19-14-9-7-6-8-13(12)14/h6-9,11,15,17H,5,10H2,1-4H3
InChIKeyOYIJWXQVOUHODY-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.85
Rot. Bonds6

About 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine

1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine (PubChem CID 79197341) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
PubChem CID79197341
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
SMILESCCNC(Cc1csc2ccccc12)C(C)(C)OC
InChIInChI=1S/C16H23NOS/c1-5-17-15(16(2,3)18-4)10-12-11-19-14-9-7-6-8-13(12)14/h6-9,11,15,17H,5,10H2,1-4H3
InChIKeyOYIJWXQVOUHODY-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720326
2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 115823821
[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215688
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405423
2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115824043
2-(1-benzothiophen-3-yl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115823579
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine
CID 63889811
2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790256
1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 63738446

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine (CID 79197341) is 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine is CCNC(Cc1csc2ccccc12)C(C)(C)OC.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The InChIKey is OYIJWXQVOUHODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-5-17-15(16(2,3)18-4)10-12-11-19-14-9-7-6-8-13(12)14/h6-9,11,15,17H,5,10H2,1-4H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine has a molecular weight of 277.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 79197341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).