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

C15H23NS — CID 83159637

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CN)CC1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-11(2)15(3,10-16)9-13-8-12-6-4-5-7-14(12)17-13/h4-7,11,13H,8-10,16H2,1-3H3
InChIKeyKXPBFXDBTXSFLW-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.71
Rot. Bonds4

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

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine (PubChem CID 83159637) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine
PubChem CID83159637
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CN)CC1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-11(2)15(3,10-16)9-13-8-12-6-4-5-7-14(12)17-13/h4-7,11,13H,8-10,16H2,1-3H3
InChIKeyKXPBFXDBTXSFLW-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 83160570
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 79450376
(2S)-2-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,2-diamine
CID 104867546
2-[2-(bromomethyl)-2-methylbutyl]-2,3-dihydro-1-benzothiophene
CID 79224397
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine
CID 79228415
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine
CID 79223273
2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 83148506
2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)ethanamine
CID 79221930
2-(2-methylpropylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79326208
2-(3-bromo-2-methylbutyl)-2,3-dihydro-1-benzothiophene
CID 79228756

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine (CID 83159637) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine is CC(C)C(C)(CN)CC1Cc2ccccc2S1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine?
The InChIKey is KXPBFXDBTXSFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11(2)15(3,10-16)9-13-8-12-6-4-5-7-14(12)17-13/h4-7,11,13H,8-10,16H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine?
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.71, 4 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)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 83159637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).