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Chemical ID: 7027369

Chemical ID:

7027369

Name [?]:

1-(cyclohexyl-ethyl-amino)-3-(2-fluorophenoxy)-propan-2-ol

SMILES [?]:

CCN(CC(COc1ccccc1F)O)C2CCCCC2

InChi [?]:

InChI=1/C17H26FNO2/c1-2-19(14-8-4-3-5-9-14)12-15(20)13-21-17-11-7-6-10-16(17)18/h6-7,10-11,14-15,20H,2-5,8-9,12-13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,19,18,20,11,10,17,21,12,9,4,6,16,5,13,8,14,3,15,7/E:(4,5)(8,9)/rA:21cCCNCCCOCCCCCCFOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s5;s3;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₆FNO₂
All Atoms:	47
Heavy Atoms:	21
Chiral Atoms:	2

ZAP Information [?]

Total:	6.90766
Area:	505.46
Solvation:	-5.72885
Coulombic:	-33.6312

Bond Count [?]

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

Chemical Properties

Molecular Weight:	295.392
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.53
LogP (Chemaxon):	3.47

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