1-(4-Chloro-3-methylphenoxy)-3-{[(oxan-2-yl)methyl]amino}propan-2-ol

HCID 61609321

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Basic information

CAS: 1307601-92-8
Standard SMILES: Cc1cc(OCC(O)CNCC2CCCCO2)ccc1Cl
InChIKey: WKFWLZJLCRENEK-UHFFFAOYSA-N
Molecular formula: C16H24ClNO3
Average molar mass: 313.82 g/mol
Monoisotopic mass: 313.1444713

Names & identifiers

Preferred name: 1-(4-Chloro-3-methylphenoxy)-3-{[(oxan-2-yl)methyl]amino}propan-2-ol
IUPAC: 1-(4-chloro-3-methylphenoxy)-3-(oxan-2-ylmethylamino)propan-2-ol

Names & synonyms

DTXSID301127589AKOS0108730171-(4-Chloro-3-methylphenoxy)-3-{[(oxan-2-yl)methyl]amino}propan-2-ol2-Propanol, 1-(4-chloro-3-methylphenoxy)-3-[[(tetrahydro-2H-pyran-2-yl)methyl]amino]-1307601-92-8

Database identifiers

CAS: 1307601-92-8
PubChem CID: 61609321
DTXSID: DTXSID301127589

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 50.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 293

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