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Chemical ID: 5246627
Chemical ID:
5246627
Name [?]:
4-(1-amino-2-phenyl-ethyl)-2-methoxy-phenol
SMILES [?]:
COc1cc(ccc1O)C(Cc2ccccc2)N
InChi [?]:
InChI=1/C15H17NO2/c1-18-15-10-12(7-8-14(15)17)13(16)9-11-5-3-2-4-6-11/h2-8,10,13,17H,9,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,6,7,11,4,12,5,10,8,3,18,9,2/E:(3,4)(5,6)/rA:18cCOCCCCCCOCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;s10;s11;s12;d13;s14;d15;d12s16;s10;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.14041 |
Area: | 442.17 |
Solvation: | -3.91383 |
Coulombic: | -37.4792 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.301 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.62 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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