Chemical ID: 7102490

CC12CC3CC(C1)(CC(C3)(C2)NCc4cccc(c4OC)OC)C
Chemical ID:
7102490
Name [?]:
N-[(2,3-dimethoxyphenyl)methyl]-3,5-dimethyl-adamantan-1-amine
SMILES [?]:
CC12CC3CC(C1)(CC(C3)(C2)NCc4cccc(c4OC)OC)C
InChi [?]:
InChI=1/C21H31NO2/c1-19-8-15-9-20(2,12-19)14-21(10-15,13-19)22-11-16-6-5-7-17(23-3)18(16)24-4/h5-7,15,22H,8-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,23,21,16,15,17,3,5,10,13,7,11,8,4,14,18,19,2,6,9,12,22,20/E:(1,2)(8,9)(13,14)(19,20)/rA:24cCCCCCCCCCCCNCCCCCCCOCOCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s4s9;s2s9;s9;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s18;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H31NO2
All Atoms:55
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:9.16317
Area:508.959
Solvation:-3.56081
Coulombic:-25.7206
Bond Count [?]
All:27
Single:24
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.476
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.19
LogP (Chemaxon):3.65

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Descriptor Annotations

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