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Chemical ID: 4461916
Chemical ID:
4461916
Name [?]:
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methyl-aniline
SMILES [?]:
CCOc1ccccc1CNc2cc(ccc2C)Cl
InChi [?]:
InChI=1/C16H18ClNO/c1-3-19-16-7-5-4-6-13(16)11-18-15-10-14(17)9-8-12(15)2/h4-10,18H,3,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,7,6,8,5,16,15,13,10,17,9,14,12,4,19,11,3/rA:19nCCOCCCCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18ClNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83923 |
Area: | 490.966 |
Solvation: | -2.43493 |
Coulombic: | -21.5053 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.773 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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