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Chemical ID: 6668172
Chemical ID:
6668172
Name [?]:
4-[(2-methoxy-5-methyl-phenyl)aminomethyl]phenol
SMILES [?]:
Cc1ccc(c(c1)NCc2ccc(cc2)O)OC
InChi [?]:
InChI=1/C15H17NO2/c1-11-3-8-15(18-2)14(9-11)16-10-12-4-6-13(17)7-5-12/h3-9,16-17H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,3,11,15,12,14,4,7,9,2,10,13,6,5,8,16,17/E:(4,5)(6,7)/rA:18nCCCCCCCNCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s5;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.73062 |
Area: | 448.889 |
Solvation: | -3.4916 |
Coulombic: | -36.761 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.301 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.32 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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