Chemical ID: 7531400

Cc1ccc(c(c1)Cc2ccccc2)OCCNCC(C)O
Chemical ID:
7531400
Name [?]:
1-[2-(2-benzyl-4-methyl-phenoxy)ethylamino]propan-2-ol
SMILES [?]:
Cc1ccc(c(c1)Cc2ccccc2)OCCNCC(C)O
InChi [?]:
InChI=1/C19H25NO2/c1-15-8-9-19(22-11-10-20-14-16(2)21)18(12-15)13-17-6-4-3-5-7-17/h3-9,12,16,20-21H,10-11,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,12,11,13,10,14,3,4,17,16,7,8,19,2,20,9,6,5,18,22,15/E:(4,5)(6,7)/rA:22cCCCCCCCCCCCCCCOCCNCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s5;s15;s16;s17;s18;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25NO2
All Atoms:47
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:9.43908
Area:537.885
Solvation:-4.00804
Coulombic:-35.0438
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.49
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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