Chemical ID: 5228420

CC(C)NCC(COc1ccccc1C2CCCCC2)O
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

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Descriptor Annotations

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