2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine

C17H27NS — CID 83160570

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(CC1Cc2ccccc2S1)C(C)C
InChIInChI=1S/C17H27NS/c1-5-18-12-17(4,13(2)3)11-15-10-14-8-6-7-9-16(14)19-15/h6-9,13,15,18H,5,10-12H2,1-4H3
InChIKeyDQTDNGSRNUFPOM-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.37
Rot. Bonds6

About 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 83160570) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID83160570
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(CC1Cc2ccccc2S1)C(C)C
InChIInChI=1S/C17H27NS/c1-5-18-12-17(4,13(2)3)11-15-10-14-8-6-7-9-16(14)19-15/h6-9,13,15,18H,5,10-12H2,1-4H3
InChIKeyDQTDNGSRNUFPOM-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine (CID 83160570) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine is CCNCC(C)(CC1Cc2ccccc2S1)C(C)C.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is DQTDNGSRNUFPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-5-18-12-17(4,13(2)3)11-15-10-14-8-6-7-9-16(14)19-15/h6-9,13,15,18H,5,10-12H2,1-4H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine?
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 83160570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).