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Chemical ID: 7100915
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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