2-Propanol, 1-(1-adamantylmethoxy)-3-diisopropylamino-, hydrochloride

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Basic information

CAS: 27866-21-3
Standard SMILES: CC(C)N(CC(O)COCC12CC3CC(CC(C3)C1)C2)C(C)C.Cl
InChIKey: IJRPBMNNWMBJGO-UHFFFAOYSA-N
Molecular formula: C20H38ClNO2
Average molar mass: 360 g/mol
Monoisotopic mass: 359.2591071

Names & identifiers

Preferred name: 2-Propanol, 1-(1-adamantylmethoxy)-3-diisopropylamino-, hydrochloride
IUPAC: 1-(1-adamantylmethoxy)-3-[di(propan-2-yl)amino]propan-2-ol;hydrochloride

Names & synonyms

27866-21-32-Propanol, 1-(1-adamantylmethoxy)-3-diisopropylamino-, hydrochloride1-(1-Adamantylmethoxy)-3-diisopropylamino-2-propanol hydrochlorideRefChem:2656881-(1-adamantylmethoxy)-3-[di(propan-2-yl)amino]propan-2-ol;hydrochloride{3-[(adamantan-1-yl)methoxy]-2-hydroxypropyl}bis(propan-2-yl)amine hydrochlorideDTXSID709505481-(Adamantan-1-ylmethoxy)-3-(diisopropylamino)propan-2-ol hydrochlorideAKOS026684119F3354-00151-((3r,5r,7r)-adamantan-1-ylmethoxy)-3-(diisopropylamino)propan-2-ol hydrochloride1-[(Adamantan-1-yl)methoxy]-3-[di(propan-2-yl)amino]propan-2-ol--hydrogen chloride (1/1)

Database identifiers

CAS: 27866-21-3
PubChem CID: 64269
DTXSID: DTXSID70950548

Properties

Computed structural properties

Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 344

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