Chemical ID: 7100915

C=CCOc1ccc(cc1)CNC2C3CC4CC(C3)CC2C4
Chemical ID:
7100915
Name [?]:
N-[(4-allyloxyphenyl)methyl]adamantan-2-amine
SMILES [?]:
C=CCOc1ccc(cc1)CNC2C3CC4CC(C3)CC2C4
InChi [?]:
InChI=1/C20H27NO/c1-2-7-22-19-5-3-14(4-6-19)13-21-20-17-9-15-8-16(11-17)12-18(20)10-15/h2-6,15-18,20-21H,1,7-13H2
InChi Info:
AuxInfo=1/0/N:1,2,7,9,6,10,3,17,15,22,19,20,11,8,16,18,14,21,5,13,12,4/E:(3,4)(5,6)(9,10,11,12)(15,16)(17,18)/rA:22nCCCOCCCCCCCNCCCCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s17;s14s18;s18;s13s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27NO
All Atoms:49
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4223
Area:506.64
Solvation:-2.24366
Coulombic:-19.9044
Bond Count [?]
All:25
Single:21
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.435
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.82
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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