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Chemical ID: 7089990
Chemical ID:
7089990
Name [?]:
2-methoxy-4-(1-phenylethylaminomethyl)phenol
SMILES [?]:
CC(c1ccccc1)NCc2ccc(c(c2)OC)O
InChi [?]:
InChI=1/C16H19NO2/c1-12(14-6-4-3-5-7-14)17-11-13-8-9-15(18)16(10-13)19-2/h3-10,12,17-18H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,6,5,7,4,8,12,13,16,10,2,11,3,14,15,9,19,17/E:(4,5)(6,7)/rA:19cCCCCCCCCNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO2 |
All Atoms: | 38 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.92888 |
Area: | 473.307 |
Solvation: | -3.90379 |
Coulombic: | -34.2991 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.328 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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