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Chemical ID: 5228420
Chemical ID:
5228420
Name [?]:
1-(2-cyclohexylphenoxy)-3-isopropylamino-propan-2-ol
SMILES [?]:
CC(C)NCC(COc1ccccc1C2CCCCC2)O
InChi [?]:
InChI=1/C18H29NO2/c1-14(2)19-12-16(20)13-21-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h6-7,10-11,14-16,19-20H,3-5,8-9,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,17,19,12,11,16,20,13,10,5,7,2,15,6,14,9,4,21,8/E:(1,2)(4,5)(8,9)/rA:21cCCCNCCCOCCCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;s17;s18;s15s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.04214 |
Area: | 530.396 |
Solvation: | -4.21776 |
Coulombic: | -34.4924 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 291.428 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.32 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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