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Chemical ID: 7108612
Chemical ID:
7108612
Name [?]:
N-[(2,3-dichlorophenyl)methyl]-2,4,4-trimethyl-pentan-2-amine
SMILES [?]:
CC(C)(C)CC(C)(C)NCc1cccc(c1Cl)Cl
InChi [?]:
InChI=1/C15H23Cl2N/c1-14(2,3)10-15(4,5)18-9-11-7-6-8-12(16)13(11)17/h6-8,18H,9-10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,13,12,14,10,5,11,15,16,2,6,18,17,9/E:(1,2,3)(4,5)/rA:18nCCCCCCCCNCCCCCCCClCl/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23Cl2N |
All Atoms: | 41 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5369 |
Area: | 452.484 |
Solvation: | -0.775235 |
Coulombic: | -12.2928 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 288.255 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.12 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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