Chemical ID: 7106950

CC(C12CC3CC(C1)CC(C3)C2)NCc4ccccc4OC
Chemical ID:
7106950
Name [?]:
1-(1-adamantyl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NCc4ccccc4OC
InChi [?]:
InChI=1/C20H29NO/c1-14(21-13-18-5-3-4-6-19(18)22-2)20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,14-17,21H,7-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,17,18,16,19,6,9,11,8,4,12,14,2,7,5,10,15,20,3,13,21/E:(7,8,9)(10,11,12)(15,16,17)/rA:22cCCCCCCCCCCCCNCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H29NO
All Atoms:51
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.58852
Area:482.49
Solvation:-2.47372
Coulombic:-18.2462
Bond Count [?]
All:25
Single:22
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:299.45
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.59
LogP (Chemaxon):4.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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