1-Amino-3-(4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy)propan-2-ol

HCID 201685

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Basic information

CAS: 6806-49-1
Standard SMILES: COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCC(O)CN)cc1
InChIKey: IWDSWMYRKCUCFN-UHFFFAOYSA-N
Molecular formula: C26H27NO3
Average molar mass: 401.5 g/mol
Monoisotopic mass: 401.19909372

Names & identifiers

Preferred name: 1-Amino-3-(4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy)propan-2-ol
IUPAC: 1-amino-3-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]propan-2-ol

Names & synonyms

Y8T557V8DWUNII-Y8T557V8DW1-Amino-3-(4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy)propan-2-ol6806-49-11-Amino-3-(4-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy)-2-propanol2-Propanol, 1-amino-3-(4-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy)-CHEMBL5485106

Database identifiers

CAS: 6806-49-1
PubChem CID: 201685
ChEMBL: CHEMBL5485106
UNII: Y8T557V8DW

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 64.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 563

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