Chemical ID: 5247707

c1ccc(cc1)CNCc2ccc(c(c2)O)CNCc3ccccc3
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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