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Chemical ID: 7975552
Chemical ID:
7975552
Name [?]:
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
SMILES [?]:
c1cc(c(c(c1)Cl)COc2ccc(cc2)CCN)Cl
InChi [?]:
InChI=1/C15H15Cl2NO/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7H,8-10,18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,14,11,15,16,17,8,13,10,4,3,5,19,7,18,9/E:(2,3)(4,5)(6,7)(14,15)(16,17)/rA:19nCCCCCCClCOCCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s3;/rC:-.0167,1.378,.0096;1.1705,2.0859,.0021;2.3784,1.4113,-.0135;2.3978,.0281,-.021;1.2094,-.6798,-.013;.0021,-.0041,.002;1.2327,-2.4156,-.0231;3.7131,-.7072,-.0385;4.1427,-.9468,1.3032;5.3269,-1.6089,1.2241;5.874,-1.9086,-.0151;7.0781,-2.5813,-.0927;7.7377,-2.9562,1.0632;7.1943,-2.659,2.2994;5.9935,-1.9811,2.3824;9.0509,-3.6903,.9755;10.1995,-2.6799,.9522;11.4796,-3.3955,.8668;3.8693,2.3005,-.0241;
Chemical Details
Atom Count
Formula: | C15H15Cl2NO |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91388 |
Area: | 493.142 |
Solvation: | -2.41466 |
Coulombic: | -22.8024 |
Bond Count [?]
All: | 35 |
Single: | 29 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.191 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.17 |
LogP (Chemaxon): | 3.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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