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Chemical ID: 6820372

Chemical ID:

6820372

Name [?]:

1-[5-(3,5-dimethylphenoxy)pentyl]-4-methyl-3,4,5,6-tetrahydro-2H-pyridine

SMILES [?]:

Cc1cc(cc(c1)OCCCCC[NH+]2CCC(CC2)C)C

InChi [?]:

InChI=1/C19H31NO/c1-16-7-10-20(11-8-16)9-5-4-6-12-21-19-14-17(2)13-18(3)15-19/h13-16H,4-12H2,1-3H3/p+1

InChi Info:

AuxInfo=1/1/N:20,1,21,11,12,10,16,18,13,15,19,9,3,7,5,17,2,4,6,14,8/E:(2,3)(7,8)(10,11)(14,15)(17,18)/rA:21nCCCCCCCOCCCCCN+CCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₂NO+
All Atoms:	53
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	-17.569
Area:	545.66
Solvation:	-31.2105
Coulombic:	18.9773

Bond Count [?]

All:	22
Single:	19
Double:	3
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	290.464
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.11
LogP (Chemaxon):	4.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value