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Chemical ID: 7101628
Chemical ID:
7101628
Name [?]:
N-[(3-benzyloxyphenyl)methyl]methanamine
SMILES [?]:
CNCc1cccc(c1)OCc2ccccc2
InChi [?]:
InChI=1/C15H17NO/c1-16-11-14-8-5-9-15(10-14)17-12-13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,6,13,17,5,7,9,3,11,12,4,8,2,10/E:(3,4)(6,7)/rA:17nCNCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO |
All Atoms: | 34 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.22035 |
Area: | 438.491 |
Solvation: | -2.74192 |
Coulombic: | -18.9012 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 227.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.16 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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