Chemical ID: 5534734

Cc1ccc(cc1)C(c2ccccc2)OCC(CNC(C)c3ccccc3)O
Chemical ID:
5534734
Name [?]:
1-(1-phenylethylamino)-3-[phenyl-(p-tolyl)methoxy]-propan-2-ol
SMILES [?]:
Cc1ccc(cc1)C(c2ccccc2)OCC(CNC(C)c3ccccc3)O
InChi [?]:
InChI=1/C25H29NO2/c1-19-13-15-23(16-14-19)25(22-11-7-4-8-12-22)28-18-24(27)17-26-20(2)21-9-5-3-6-10-21/h3-16,20,24-27H,17-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,25,12,24,26,11,13,23,27,10,14,3,7,4,6,18,16,2,20,22,9,5,17,8,19,28,15/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:28cCCCCCCCCCCCCCCOCCCNCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s8;s15;s16;s17;s18;s19;s20;s20;s22;d23;s24;d25;d22s26;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:3
ZAP Information [?]
Total:11.2726
Area:647.002
Solvation:-4.90244
Coulombic:-38.3585
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:375.503
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.92
LogP (Chemaxon):5.54

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue