2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine

C17H25NS — CID 83148506

IUPAC2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(CC1Cc2ccccc2S1)C1CC1
InChIInChI=1S/C17H25NS/c1-3-18-12-17(2,14-8-9-14)11-15-10-13-6-4-5-7-16(13)19-15/h4-7,14-15,18H,3,8-12H2,1-2H3
InChIKeyWUQDEPOQVARZPG-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.12
Rot. Bonds6

About 2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine

2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 83148506) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine
PubChem CID83148506
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(CC1Cc2ccccc2S1)C1CC1
InChIInChI=1S/C17H25NS/c1-3-18-12-17(2,14-8-9-14)11-15-10-13-6-4-5-7-16(13)19-15/h4-7,14-15,18H,3,8-12H2,1-2H3
InChIKeyWUQDEPOQVARZPG-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.12
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-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 83159637
2-[2-(bromomethyl)-2-methylbutyl]-2,3-dihydro-1-benzothiophene
CID 79224397
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine
CID 79224568
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 79229011
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 79223818
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 79450376
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-(methylamino)-3-oxopropanoic acid
CID 114900228
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-propylaniline
CID 79222167
2-[2-(bromomethyl)-2-phenylbutyl]-2,3-dihydro-1-benzothiophene
CID 79205663

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine (CID 83148506) is 2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)(CC1Cc2ccccc2S1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is WUQDEPOQVARZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-3-18-12-17(2,14-8-9-14)11-15-10-13-6-4-5-7-16(13)19-15/h4-7,14-15,18H,3,8-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine?
2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 83148506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).