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Chemical ID: 6662689
Chemical ID:
6662689
Name [?]:
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4-methyl-aniline
SMILES [?]:
Cc1ccc(cc1Cl)NCc2cccc(c2OC)OC
InChi [?]:
InChI=1/C16H18ClNO2/c1-11-7-8-13(9-14(11)17)18-10-12-5-4-6-15(19-2)16(12)20-3/h4-9,18H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,13,12,14,3,4,6,10,2,11,5,7,15,16,8,9,19,17/rA:20nCCCCCCCClNCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s15;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.24959 |
Area: | 487.278 |
Solvation: | -3.93236 |
Coulombic: | -28.4227 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 291.772 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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