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Chemical ID: 7509215
Chemical ID:
7509215
Name [?]:
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-aniline
SMILES [?]:
Cc1c(cccc1Cl)NCc2cccc(c2OC)OC
InChi [?]:
InChI=1/C16H18ClNO2/c1-11-13(17)7-5-8-14(11)18-10-12-6-4-9-15(19-2)16(12)20-3/h4-9,18H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,13,5,12,6,4,14,10,2,11,7,3,15,16,8,9,19,17/rA:20nCCCCCCCClNCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s15;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18ClNO2 |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.05368 |
Area: | 478.057 |
Solvation: | -3.89774 |
Coulombic: | -28.5233 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.79 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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