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Chemical ID: 7102622
Chemical ID:
7102622
Name [?]:
N-[(2-chlorophenyl)methyl]-1-(3-ethoxy-4-methoxy-phenyl)-methanamine
SMILES [?]:
CCOc1cc(ccc1OC)CNCc2ccccc2Cl
InChi [?]:
InChI=1/C17H20ClNO2/c1-3-21-17-10-13(8-9-16(17)20-2)11-19-12-14-6-4-5-7-15(14)18/h4-10,19H,3,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,17,18,16,19,7,8,5,12,14,6,15,20,9,4,21,13,10,3/rA:21nCCOCCCCCCOCCNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20ClNO2 |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.32561 |
Area: | 525.994 |
Solvation: | -4.82424 |
Coulombic: | -25.2442 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.799 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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