Chemical ID: 7104434

CC(C12CC3CC(C1)CC(C3)C2)NCc4ccc(cc4OC)OC
Chemical ID:
7104434
Name [?]:
1-(1-adamantyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NCc4ccc(cc4OC)OC
InChi [?]:
InChI=1/C21H31NO2/c1-14(21-10-15-6-16(11-21)8-17(7-15)12-21)22-13-18-4-5-19(23-2)9-20(18)24-3/h4-5,9,14-17,22H,6-8,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,16,17,6,9,11,19,8,4,12,14,2,7,5,10,15,18,20,3,13,23,21/E:(6,7,8)(10,11,12)(15,16,17)/rA:24cCCCCCCCCCCCCNCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s18;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H31NO2
All Atoms:55
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.37108
Area:520.213
Solvation:-3.63424
Coulombic:-24.5685
Bond Count [?]
All:27
Single:24
Double:3
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:329.476
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.51
LogP (Chemaxon):3.87

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Descriptor Annotations

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