4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine Traditional Name: 2-methyl-4,5-dimethylol-pyridin-3-ol; methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amine Formula: C25H29F3N2O4 MolecularWeight: 478.50397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CO.CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CO.CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H18F3NO.C8H11NO3/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;1-5-8(12)7(4-11)6(3-10)2-9-5/h2-10,16,21H,11-12H2,1H3;2,10-12H,3-4H2,1H3