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

C15H23NS — CID 79221531

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine
SMILESCNCC(CC1CSc2ccccc21)C(C)C
InChIInChI=1S/C15H23NS/c1-11(2)12(9-16-3)8-13-10-17-15-7-5-4-6-14(13)15/h4-7,11-13,16H,8-10H2,1-3H3
InChIKeyJLFJDTOBSCLZFM-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.76
Rot. Bonds5

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

2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine (PubChem CID 79221531) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine
PubChem CID79221531
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine
SMILESCNCC(CC1CSc2ccccc21)C(C)C
InChIInChI=1S/C15H23NS/c1-11(2)12(9-16-3)8-13-10-17-15-7-5-4-6-14(13)15/h4-7,11-13,16H,8-10H2,1-3H3
InChIKeyJLFJDTOBSCLZFM-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(bromomethyl)-3-methylbutyl]-2,3-dihydro-1-benzothiophene
CID 79226883
3-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-2-phenylpropan-1-amine
CID 79225975
4-(2,3-dihydro-1-benzothiophen-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81016520
3-(2,3-dihydro-1-benzothiophen-3-yl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79433588
3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylpentan-2-amine
CID 79221584
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
2-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propan-2-ylpropan-1-amine
CID 115926687
N-[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine
CID 83139831
3-(3-bromo-2-methylpentyl)-2,3-dihydro-1-benzothiophene
CID 79220831
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-6-methylheptan-2-amine
CID 79220614

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine (CID 79221531) is 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine is CNCC(CC1CSc2ccccc21)C(C)C.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine?
The InChIKey is JLFJDTOBSCLZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11(2)12(9-16-3)8-13-10-17-15-7-5-4-6-14(13)15/h4-7,11-13,16H,8-10H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine?
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylbutan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.76, 5 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-3-ylmethyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 79221531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).