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Chemical ID: 6700975

Chemical ID:

6700975

Name [?]:

1-(2,6-dimethylphenoxy)-3-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)propan-2-ol

SMILES [?]:

Cc1cccc(c1OCC(C[NH+]2CCCCC2)O)C

InChi [?]:

InChI=1/C16H25NO2/c1-13-7-6-8-14(2)16(13)19-12-15(18)11-17-9-4-3-5-10-17/h6-8,15,18H,3-5,9-12H2,1-2H3/p+1

InChi Info:

AuxInfo=1/1/N:1,19,15,14,16,4,3,5,13,17,11,9,2,6,10,7,12,18,8/E:(1,2)(4,5)(7,8)(9,10)(13,14)/rA:19cCCCCCCCOCCCN+CCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s10;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₆NO₂₊
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	-20.7473
Area:	471.17
Solvation:	-32.5266
Coulombic:	4.52302

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	264.383
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.43
LogP (Chemaxon):	3.06

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value