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Chemical ID: 7107447
Chemical ID:
7107447
Name [?]:
N-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-adamantan-1-amine
SMILES [?]:
CC12CC3CC(C1)(CC(C3)(C2)NCc4c(cccc4Cl)Cl)C
InChi [?]:
InChI=1/C19H25Cl2N/c1-17-6-13-7-18(2,10-17)12-19(8-13,11-17)22-9-14-15(20)4-3-5-16(14)21/h3-5,13,22H,6-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,17,16,18,3,5,10,13,7,11,8,4,14,15,19,2,6,9,21,20,12/E:(1,2)(4,5)(6,7)(11,12)(15,16)(17,18)(20,21)/rA:22cCCCCCCCCCCCNCCCCCCCClClC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s4s9;s2s9;s9;s12;s13;s14;d15;s16;d17;d14s18;s19;s15;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25Cl2N |
All Atoms: | 47 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.4377 |
Area: | 491.77 |
Solvation: | -0.856561 |
Coulombic: | -12.5747 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 338.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.87 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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