Chemical ID: 7533669

Cc1cc(cc(c1)OCCCNCC(C)O)C(C)C
Chemical ID:
7533669
Name [?]:
1-[3-(3-isopropyl-5-methyl-phenoxy)propylamino]propan-2-ol
SMILES [?]:
Cc1cc(cc(c1)OCCCNCC(C)O)C(C)C
InChi [?]:
InChI=1/C16H27NO2/c1-12(2)15-8-13(3)9-16(10-15)19-7-5-6-17-11-14(4)18/h8-10,12,14,17-18H,5-7,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:18,19,1,15,10,11,9,3,7,5,13,17,2,14,4,6,12,16,8/E:(1,2)/rA:19cCCCCCCCOCCCNCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s14;s4;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27NO2
All Atoms:46
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:8.97589
Area:517.552
Solvation:-3.96292
Coulombic:-33.7385
Bond Count [?]
All:19
Single:16
Double:3
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.5
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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