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

HCID 64262

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Basic information

CAS: 27866-14-4
Standard SMILES: CCC(C)NCC(O)COCC12CC3CC(CC(C3)C1)C2.Cl
InChIKey: WJKYZMWHHGYMST-UHFFFAOYSA-N
Molecular formula: C18H34ClNO2
Average molar mass: 331.9 g/mol
Monoisotopic mass: 331.227807

Names & identifiers

Preferred name: 2-Propanol, 1-(1-adamantylmethoxy)-3-(2-butylamino)-, hydrochloride
IUPAC: 1-(1-adamantylmethoxy)-3-(butan-2-ylamino)propan-2-ol;hydrochloride

Names & synonyms

27866-14-42-Propanol, 1-(1-adamantylmethoxy)-3-(2-butylamino)-, hydrochloride1-(1-Adamantylmethoxy)-3-(2-butylamino)-2-propanol hydrochloride2-Propanol, 1-((1-methylpropyl)amino)-3-(tricyclo(3.3.1.13,7)dec-1-ylmethoxy)-, hydrochlorideRefChem:2656821-(1-adamantylmethoxy)-3-(butan-2-ylamino)propan-2-ol;hydrochloride{3-[(adamantan-1-yl)methoxy]-2-hydroxypropyl}(butan-2-yl)amine hydrochlorideDTXSID30950544AKOS026683683F3254-00231-((3r,5r,7r)-adamantan-1-ylmethoxy)-3-(sec-butylamino)propan-2-ol hydrochloride1-[(Adamantan-1-yl)methoxy]-3-[(butan-2-yl)amino]propan-2-ol--hydrogen chloride (1/1)

Database identifiers

CAS: 27866-14-4
PubChem CID: 64262
DTXSID: DTXSID30950544

Properties

Computed structural properties

Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 303

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