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Chemical ID: 6474508
Chemical ID:
6474508
Name [?]:
N-[(2-chlorophenyl)methyl]-1-(4-ethylphenyl)-methanamine
SMILES [?]:
CCc1ccc(cc1)CNCc2ccccc2Cl
InChi [?]:
InChI=1/C16H18ClN/c1-2-13-7-9-14(10-8-13)11-18-12-15-5-3-4-6-16(15)17/h3-10,18H,2,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,13,16,4,8,5,7,9,11,3,6,12,17,18,10/E:(7,8)(9,10)/rA:18nCCCCCCCCCNCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18ClN |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3293 |
Area: | 472.461 |
Solvation: | -1.48219 |
Coulombic: | -12.6047 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 259.774 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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