Chemical ID: 7102503

CC12CC3CC(C1)(CC(C3)(C2)NCc4cc(c(c(c4)Cl)OC)OC)C
Chemical ID:
7102503
Name [?]:
N-[(3-chloro-4,5-dimethoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine
SMILES [?]:
CC12CC3CC(C1)(CC(C3)(C2)NCc4cc(c(c(c4)Cl)OC)OC)C
InChi [?]:
InChI=1/C21H30ClNO2/c1-19-7-15-8-20(2,11-19)13-21(9-15,12-19)23-10-14-5-16(22)18(25-4)17(6-14)24-3/h5-6,15,23H,7-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,24,22,19,15,3,5,10,13,7,11,8,14,4,18,16,17,2,6,9,20,12,23,21/E:(1,2)(7,8)(12,13)(19,20)/rA:25cCCCCCCCCCCCNCCCCCCCClOCOCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s4s9;s2s9;s9;s12;s13;s14;d15;s16;d17;d14s18;s18;s17;s21;s16;s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30ClNO2
All Atoms:55
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:10.0973
Area:553.4
Solvation:-3.73774
Coulombic:-25.7032
Bond Count [?]
All:28
Single:25
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:363.921
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.81
LogP (Chemaxon):4.17

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