CAS 3899-07-8 2-Propylamino-5-methoxytetralin (HCID 10242548)

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Basic information

CAS: 3899-07-8
Standard SMILES: CCCNC1CCc2c(cccc2OC)C1
InChIKey: ICJPCRXVYMMSJY-UHFFFAOYSA-N
Molecular formula: C14H21NO
Average molar mass: 219.32 g/mol
Monoisotopic mass: 219.16231429

Names & identifiers

Preferred name: 2-Propylamino-5-methoxytetralin
IUPAC: 5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
English name: (5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine hydrochloride
Molecular formula: C14H21NO
Molecular weight: 219.32

Names & synonyms

78598-91-12-PROPYLAMINO-5-METHOXYTETRALINDTXSID10437207RefChem:266417DTXCID403880315-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine3899-07-8(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-aminerac-1,2,3,4-Tetrahydro-5-methoxy-N-propyl-2-naphthalenamineCHEMBL1351522-Naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-N-propyl-2-(N-propylamino)-5-methoxytetralin

Show more names

5-METHOXY-N-PROPYL-2-AMINOTETRALINE HYDROCHLORIDE2-NAPHTHALENAMINE, 1,2,3,4-TETRAHYDRO-5-METHOXY-N-PROPYL-, HYDROCHLORIDE(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine hydrochloride

((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine hydrochloride5-methoxy-N-propyl-tetralin-2-amineEQ8USJ4Z2MSCHEMBL604798SCHEMBL12072682ICJPCRXVYMMSJY-UHFFFAOYSA-NDDA598915-methoxy-2-(N-propylamino)tetralin

Database identifiers

CAS: 3899-07-8、78598-91-1
PubChem CID: 10242548
DTXSID: DTXSID10437207
ChEMBL: CHEMBL135152
UNII: EQ8USJ4Z2M
Nikkaji: J780.841K

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 207

Physicochemical properties

Boiling point: 122 · 122-125 °C(Press: 0.5 Torr)
Density: 1.01 · 1.01±0.1 g/cm3(Predicted)
solubility: soluble in Dichloromethane, Ethyl Acetate
pka: 10.26 · 10.26±0.20(Predicted)

Chemistry & industry

Applications · 1 item

Usesrac-1,2,3,4-Tetrahydro-5-methoxy-N-propyl-2-naphthalenamine is an intermediate in the production of antipsychotic agents and antiparkinson medications, such as ent-Rotigotine (R700705), which is a non-ergot dopamine agonist drug and is indicated for the treatment of ParkinsonтАЩs disease.