Chemical ID: 4951888

CC(C)N(CCOc1ccccc1Cc2ccccc2)CC(c3ccccc3)O
Chemical ID:
4951888
Name [?]:
2-[2-(2-benzylphenoxy)ethyl-isopropyl-amino]-1-phenyl-ethanol
SMILES [?]:
CC(C)N(CCOc1ccccc1Cc2ccccc2)CC(c3ccccc3)O
InChi [?]:
InChI=1/C26H31NO2/c1-21(2)27(20-25(28)23-13-7-4-8-14-23)17-18-29-26-16-10-9-15-24(26)19-22-11-5-3-6-12-22/h3-16,21,25,28H,17-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,26,17,19,25,27,11,10,16,20,24,28,12,9,5,6,14,21,2,15,23,13,22,8,4,29,7/E:(1,2)(5,6)(7,8)(11,12)(13,14)/rA:29cCCCNCCOCCCCCCCCCCCCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;d16;s17;d18;d15s19;s4;s21;s22;s23;d24;s25;d26;d23s27;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31NO2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:11.3912
Area:631.671
Solvation:-4.40054
Coulombic:-33.5893
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:389.53
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.53
LogP (Chemaxon):6.01

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Descriptor Annotations

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