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Chemical ID: 7042771

Chemical ID:

7042771

Name [?]:

1-(cyclohexyl-methyl-amino)-3-(3-methylphenoxy)-propan-2-ol

SMILES [?]:

Cc1cccc(c1)OCC(CN(C)C2CCCCC2)O

InChi [?]:

InChI=1/C17H27NO2/c1-14-7-6-10-17(11-14)20-13-16(19)12-18(2)15-8-4-3-5-9-15/h6-7,10-11,15-16,19H,3-5,8-9,12-13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,13,17,16,18,4,3,15,19,5,7,11,9,2,14,10,6,12,20,8/E:(4,5)(8,9)/rA:20cCCCCCCCOCCCNCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s12;s14;s15;s16;s17;s14s18;s10;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₇NO₂
All Atoms:	47
Heavy Atoms:	20
Chiral Atoms:	2

ZAP Information [?]

Total:	8.08973
Area:	499.694
Solvation:	-4.40262
Coulombic:	-29.9603

Bond Count [?]

All:	21
Single:	18
Double:	3
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	277.402
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.38
LogP (Chemaxon):	3.45

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