Chemical ID: 4518568

CC(C12CC3CC(C1)CC(C3)(C2)c4ccc(c(c4)Cl)Cl)N
Chemical ID:
4518568
Name [?]:
1-[3-(3,4-dichlorophenyl)-1-adamantyl]ethanamine
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)(C2)c4ccc(c(c4)Cl)Cl)N
InChi [?]:
InChI=1/C18H23Cl2N/c1-11(21)17-6-12-4-13(7-17)9-18(8-12,10-17)14-2-3-15(19)16(20)5-14/h2-3,5,11-13H,4,6-10,21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,6,18,4,8,11,9,12,2,5,7,13,16,17,3,10,20,19,21/E:(6,7)(8,9)(12,13)/rA:21cCCCCCCCCCCCCCCCCCCClClN/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s10;s13;d14;s15;d16;d13s17;s17;s16;s2;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23Cl2N
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:11.2081
Area:481.471
Solvation:-0.828648
Coulombic:-16.0452
Bond Count [?]
All:24
Single:21
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:324.287
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:6.11
LogP (Chemaxon):4.87

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Descriptor Annotations

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