1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine

C16H25NS — CID 105168564

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine
SMILESCCNC(C(CC)CC)C1Cc2ccccc2S1
InChIInChI=1S/C16H25NS/c1-4-12(5-2)16(17-6-3)15-11-13-9-7-8-10-14(13)18-15/h7-10,12,15-17H,4-6,11H2,1-3H3
InChIKeySCUIELVHTJSWSH-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.12
Rot. Bonds6

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine

1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine (PubChem CID 105168564) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine
PubChem CID105168564
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine
SMILESCCNC(C(CC)CC)C1Cc2ccccc2S1
InChIInChI=1S/C16H25NS/c1-4-12(5-2)16(17-6-3)15-11-13-9-7-8-10-14(13)18-15/h7-10,12,15-17H,4-6,11H2,1-3H3
InChIKeySCUIELVHTJSWSH-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-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-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
CID 105078795
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-ethoxy-N-ethylethanamine
CID 105165121
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105170454
1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105138314
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylphenyl)methyl]ethanamine
CID 105094696
N-[2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methyl]ethanamine
CID 105088110
N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 107361920
N-[2,3-dihydro-1-benzothiophen-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102652995
N-[2,3-dihydro-1-benzothiophen-2-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105140323
N-[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]ethanamine
CID 105098407
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methyl-N-propylpentan-1-amine
CID 105126777

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine (CID 105168564) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine is CCNC(C(CC)CC)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine?
The InChIKey is SCUIELVHTJSWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-4-12(5-2)16(17-6-3)15-11-13-9-7-8-10-14(13)18-15/h7-10,12,15-17H,4-6,11H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N,2-diethylbutan-1-amine is sourced from PubChem (CID 105168564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).