Chemical ID: 4263234

CC(C12CC3CC(C1)CC(C3)(C2)c4ccc(cc4)Cl)N
Chemical ID:
4263234
Name [?]:
1-[3-(4-chlorophenyl)-1-adamantyl]ethanamine
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)(C2)c4ccc(cc4)Cl)N
InChi [?]:
InChI=1/C18H24ClN/c1-12(20)17-7-13-6-14(8-17)10-18(9-13,11-17)15-2-4-16(19)5-3-15/h2-5,12-14H,6-11,20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,18,15,17,6,4,8,11,9,12,2,5,7,13,16,3,10,19,20/E:(2,3)(4,5)(7,8)(9,10)(13,14)/rA:20cCCCCCCCCCCCCCCCCCCClN/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s10;s13;d14;s15;d16;d13s17;s16;s2;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24ClN
All Atoms:20
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:10.4391
Area:452.949
Solvation:-0.884647
Coulombic:-15.8425
Bond Count [?]
All:23
Single:20
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:289.843
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:5.48
LogP (Chemaxon):4.36

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Descriptor Annotations

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