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Home> Encyclopedia > Hot Product Listed 2   > 2-Thiophenemethanol, a-[1-[(1-methylpropyl)amino]ethyl]-,hydrochloride (1:1)
380358-27-0 structure

2-Thiophenemethanol, a-[1-[(1-methylpropyl)amino]ethyl]-,hydrochloride (1:1)

Iupac Name:tert-butyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CAS No.:380358-27-0
Molecular Weight:290.363
Molecular Formula:C27H42O5 (isomer)
Names and Identifiers
Synonyms

2-(butan-2-ylamino)-1-(thiophen-2-yl)propan-1-ol hydrochloride(1:1) 2-(butan-2-ylamino)-1-thiophen-2-ylpropan-1-ol hydrochloride 2-(butan-2-ylamino)-1-thiophen-2-ylpropan-1-ol,hydrochloride 2-thiophenemethanol, alpha-(1-(sec-butylamino)ethyl)-, hydrochloride 2-Thiophenemethanol,a-[1-(sec-butylamino)ethyl]-,hydrochloride (8CI) AC1L4JZO AC1Q3F35 alpha-(1-(sec-butylamino)ethyl)-2-thiophenemethanol hydrochloride CTK4G7485 LS-153116

Inchi
InChI=1S/C16H22N2O3/c1-16(2,3)21-15(19)17-8-7-11-10-18-14-6-5-12(20-4)9-13(11)14/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19)
InChkey
WAHZSIBAJJNUBF-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
Isomers Smiles
CC(C)(C)OC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
Properties
Flash Point
186.3ºC
Computational chemical data
  • Molecular Weight:290.363g/mol
  • Molecular Formula:C27H42O5
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.2
  • Exact Mass:290.163
  • Monoisotopic Mass:290.163
  • Complexity:354
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.4A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQAAAADEzBngY+zvLJlACo AzRnXACCiCAxIiAI2aA+bJkMJuLEsZuMMChk1hHI6Aew0PIOgEABAAACAAAAgAIAAAQAAAAAAAAA AA==
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