[2-(5-methoxy-1H-indol-3-yl)ethyl]bis(propan-2-yl)amine hydrate hydrochloride

• ChemBase ID: 154076
• Molecular Formular: C17H29ClN2O2
• Molecular Mass: 328.87736
• Monoisotopic Mass: 328.19175586
• SMILES: CC(C)N(CCc1c[nH]c2c1cc(cc2)OC)C(C)C.O.Cl
• Canonical SMILES: COc1ccc2c(c1)c(CCN(C(C)C)C(C)C)c[nH]2.O.Cl
• InChI: InChI=1S/C17H26N2O.ClH.H2O/c1-12(2)19(13(3)4)9-8-14-11-18-17-7-6-15(20-5)10-16(14)17;;/h6-7,10-13,18H,8-9H2,1-5H3;1H;1H2
• InChIKey: DFERASOFTGVIPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(5-methoxy-1H-indol-3-yl)ethyl]bis(propan-2-yl)amine hydrate hydrochloride
• IUPAC Traditional name: 5-MeO-DIPT hydrate hydrochloride
• Synonyms: Methoxy Foxy; N,N-Diisopropyl-5-methoxytryptamine hydrochloride hydrate; 5-MEO-DIPT hydrochloride hydrate; N,N-diisopropyl-5-methoxy-tryptamine 盐酸盐; 5-MEO-DIPT 盐酸盐

Database IDs

• MDL Number: MFCD12912426
• PubChem SID: 162248215
• PubChem CID: 71311787

CALCULATED PROPERTIES

• Acid pKa: 17.440752
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19873744
• LogD (pH = 7.4): 0.6141407
• Log P: 3.6911604
• Molar Refractivity: 85.2402 cm^3
• Polarizability: 34.30691 Å^3
• Polar Surface Area: 28.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Drug Control: USDEA Schedule I
• Storage Temperature: room temp

Product Information

• Empirical Formula (Hill Notation): C17H26N2O · xHCl · yH2O

DETAILS

Sigma Aldrich - M3196

Biochem/physiol Actions
5-MeO-DIPT is a tryptamine derivative. In animal behavioral studies, 5-MeO-DIPT has been shown to produce behavioral effects that are substantially similar to those of LSD, both schedule I hallucinogens.