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Chemical ID: 7085969
Chemical ID:
7085969
Name [?]:
N-[(3-chlorophenyl)methyl]-2,3-dimethyl-aniline
SMILES [?]:
Cc1cccc(c1C)NCc2cccc(c2)Cl
InChi [?]:
InChI=1/C15H16ClN/c1-11-5-3-8-15(12(11)2)17-10-13-6-4-7-14(16)9-13/h3-9,17H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,4,13,3,12,14,5,16,10,2,7,11,15,6,17,9/rA:17nCCCCCCCCNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16ClN |
All Atoms: | 33 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0071 |
Area: | 447.342 |
Solvation: | -1.17645 |
Coulombic: | -14.7939 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 245.747 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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