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

C15H23NS — CID 81016217

IUPAC4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine
SMILESCNCC(C)C(C)CC1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-11(12(2)10-16-3)8-14-9-13-6-4-5-7-15(13)17-14/h4-7,11-12,14,16H,8-10H2,1-3H3
InChIKeyOXOZTPMFARZKGR-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.59
Rot. Bonds5

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

4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine (PubChem CID 81016217) 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,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine
PubChem CID81016217
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine
SMILESCNCC(C)C(C)CC1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-11(12(2)10-16-3)8-14-9-13-6-4-5-7-15(13)17-14/h4-7,11-12,14,16H,8-10H2,1-3H3
InChIKeyOXOZTPMFARZKGR-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine?
The IUPAC name of 4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine (CID 81016217) is 4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine?
The canonical SMILES for 4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine is CNCC(C)C(C)CC1Cc2ccccc2S1.
What is the InChIKey of 4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine?
The InChIKey is OXOZTPMFARZKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11(12(2)10-16-3)8-14-9-13-6-4-5-7-15(13)17-14/h4-7,11-12,14,16H,8-10H2,1-3H3.
What are the key properties of 4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine?
4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.59, 5 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,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 81016217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).