Elmol

ScientificNameLabel

Elmol
PHCD compound ID :	4341
Chemical Names :	Elmol
Molecular Formula :	C17H21N1O1
Molecular Weight :	255.162314

More Details :

Names & Synonyms:	N-methyl-2-[o-tolyl(phenyl)methoxy]ethanamine , N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine , N-methyl-2-[(2-methylphenyl)-phenyl-methoxy]ethanamine , methyl-[2-[o-tolyl(phenyl)methoxy]ethyl]amine
Smiles:	CNCCO[C@H](c1ccccc1C)c1ccccc1
InChi :	InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m0/s1
InChi Key :	InChIKey=PNYKGCPSFKLFKA-KRWDZBQOSA-N
PubChem ID :	25315

Rotatable bond count :	6	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.119119
Hydrogen bond donor count :	1	Electric dipole moment :	0.902
XLogP :	2.075	VDW volume :	260.043515
Molecular weight :	255.162314	HOMO-LUMO gap :	9.297000

Herb list :

Damask rose, Persian rose - Rosa damascena - گل محمدی، گل گلاب

Refrences & Litretures:


636. Journal:'Journal of Essential Oil Research' Year:'2013' Volume:'25' Page:'55' DOI:'10.1080/10412905.2012.751555' Title:'Comparison of microwave-assisted distillation and conventional hydrodistillation in the essential oil extraction of ?owers Rosa damascena Mill'

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