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Chemical ID: 5247707
Chemical ID:
5247707
Name [?]:
2,5-bis(benzylaminomethyl)phenol
SMILES [?]:
c1ccc(cc1)CNCc2ccc(c(c2)O)CNCc3ccccc3
InChi [?]:
InChI=1/C22H24N2O/c25-22-13-20(16-23-14-18-7-3-1-4-8-18)11-12-21(22)17-24-15-19-9-5-2-6-10-19/h1-13,23-25H,14-17H2
InChi Info:
AuxInfo=1/0/N:1,23,2,6,22,24,3,5,21,25,11,12,15,7,19,9,17,4,20,10,13,14,8,18,16/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCCCCCNCCCCCCCOCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s13;s17;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.744 |
Area: | 598.662 |
Solvation: | -3.22255 |
Coulombic: | -37.4816 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.439 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 4.06 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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