Chemical ID: 7104625

c1ccc(c(c1)CNC23CC4CC(C2)CC(C4)C3)F
Chemical ID:
7104625
Name [?]:
N-[(2-fluorophenyl)methyl]adamantan-1-amine
SMILES [?]:
c1ccc(c(c1)CNC23CC4CC(C2)CC(C4)C3)F
InChi [?]:
InChI=1/C17H22FN/c18-16-4-2-1-3-15(16)11-19-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,19H,5-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,15,17,14,10,18,7,13,11,16,5,4,9,19,8/E:(5,6,7)(8,9,10)(12,13,14)/rA:19nCCCCCCCNCCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s9s13;s13;s15;s11s16;s9s16;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22FN
All Atoms:41
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.83253
Area:418.017
Solvation:-1.6179
Coulombic:-15.1778
Bond Count [?]
All:22
Single:19
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:259.362
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.57
LogP (Chemaxon):3.43

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Descriptor Annotations

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