4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine

C15H23NS — CID 79224568

IUPAC4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)CCC1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-3-16-11-12(2)8-9-14-10-13-6-4-5-7-15(13)17-14/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyLQHDHWVQBXOQQI-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.73
Rot. Bonds6

About 4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine

4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 79224568) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine
PubChem CID79224568
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)CCC1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-3-16-11-12(2)8-9-14-10-13-6-4-5-7-15(13)17-14/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyLQHDHWVQBXOQQI-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 79224662
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine
CID 79223006
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 83160570
3-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-phenylpropan-1-amine
CID 79227438
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 79223012
2-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzothiophene
CID 79227797
N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine
CID 79229094
4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine
CID 81016217
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine
CID 79223008
5-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-1-amine
CID 114150798
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylbutan-1-amine
CID 79224330

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine (CID 79224568) is 4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine is CCNCC(C)CCC1Cc2ccccc2S1.
What is the InChIKey of 4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is LQHDHWVQBXOQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-16-11-12(2)8-9-14-10-13-6-4-5-7-15(13)17-14/h4-7,12,14,16H,3,8-11H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine?
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 79224568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).