Chemical ID: 7108177

CCOc1ccc(cc1)CNC23CC4CC(C2)(CC(C4)(C3)C)C
Chemical ID:
7108177
Name [?]:
N-[(4-ethoxyphenyl)methyl]-3,5-dimethyl-adamantan-1-amine
SMILES [?]:
CCOc1ccc(cc1)CNC23CC4CC(C2)(CC(C4)(C3)C)C
InChi [?]:
InChI=1/C21H31NO/c1-4-23-18-7-5-16(6-8-18)12-22-21-11-17-9-19(2,14-21)13-20(3,10-17)15-21/h5-8,17,22H,4,9-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,23,2,6,8,5,9,20,15,13,10,18,21,17,7,14,4,19,16,12,11,3/E:(2,3)(5,6)(7,8)(9,10)(14,15)(19,20)/rA:23cCCOCCCCCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H31NO
All Atoms:54
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:10.6839
Area:517.751
Solvation:-2.2599
Coulombic:-18.637
Bond Count [?]
All:26
Single:23
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:313.477
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.96
LogP (Chemaxon):4.25

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