Chemical ID: 7285245

COc1ccc(cc1)CNCCC23CC4CC(C2)CC(C4)C3
Chemical ID:
7285245
Name [?]:
2-(1-adamantyl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILES [?]:
COc1ccc(cc1)CNCCC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C20H29NO/c1-22-19-4-2-15(3-5-19)14-21-7-6-20-11-16-8-17(12-20)10-18(9-16)13-20/h2-5,16-18,21H,6-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,12,11,16,19,21,18,14,22,9,6,17,15,20,3,13,10,2/E:(2,3)(4,5)(8,9,10)(11,12,13)(16,17,18)/rA:22nCOCCCCCCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H29NO
All Atoms:51
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.283
Area:508.246
Solvation:-2.42318
Coulombic:-18.4675
Bond Count [?]
All:25
Single:22
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:299.45
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.12
LogP (Chemaxon):3.96

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Descriptor Annotations

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