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Chemical ID: 7101608
Chemical ID:
7101608
Name [?]:
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]methanamine
SMILES [?]:
CNCc1cccc(c1OCc2ccccc2Cl)OC
InChi [?]:
InChI=1/C16H18ClNO2/c1-18-10-12-7-5-9-15(19-2)16(12)20-11-13-6-3-4-8-14(13)17/h3-9,18H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,14,15,6,13,5,16,7,3,11,4,12,17,8,9,18,2,19,10/rA:20nCNCCCCCCCOCCCCCCCClOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s8;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18ClNO2 |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56302 |
Area: | 482.021 |
Solvation: | -3.48751 |
Coulombic: | -26.9775 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 291.772 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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