2-[5-(Benzyloxy)-2-methyl-1H-indol-3-YL]ethanamine hydrochloride

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Basic information

CAS: 1147199-72-1
Standard SMILES: Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCN.Cl
InChIKey: FMWOWTNPQWIRQN-UHFFFAOYSA-N
Molecular formula: C18H21ClN2O
Average molar mass: 316.8 g/mol

Names & identifiers

Preferred name: 2-[5-(Benzyloxy)-2-methyl-1H-indol-3-YL]ethanamine hydrochloride
IUPAC: 2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride
English name: 2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethanamine:hydrochloride
Molecular formula: C18H21ClN2O
Molecular weight: 316.82514

Names & synonyms

1147199-72-12-[5-(BENZYLOXY)-2-METHYL-1H-INDOL-3-YL]ETHANAMINE HYDROCHLORIDE2-(5-Benzyloxy-2-methyl-1H-indol-3-yl)ethanaminehydrochloride2-(5-(benzyloxy)-2-methyl-1H-indol-3-yl)ethanamine hydrochloride2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride2-(5-(Benzyloxy)-2-methyl-1H-indol-3-yl)ethan-1-amine hydrochlorideMLS001195242CHEMBL1443117MFCD04967103AKOS001475919SMR000503034CS-0364680

Show more names

2-[5-(Benzyloxy)-2-methyl-1h-indol-3-yl]ethanamine, HCl2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethanamine:hydrochloride

E72711SR-01000537029SR-01000537029-12-(5-Benzyloxy-2-methyl-1H-indol-3-yl)-ethylamine; hydrochloride2-(5-Benzyloxy-2-methyl-1H-indol-3-yl)ethanamine hydrochloride2-(5-benzyloxy-2-methyl-1H-indol-3-yl)ethanamine;hydrochloride

Database identifiers

CAS: 1147199-72-1
ChEMBL: CHEMBL1443117

Properties

Computed structural properties

Topological polar surface area: 51 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 316

Experimental & physicochemical properties

Solubility>47.5 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Related reactions

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Compound notes

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