Chemical ID: 7432766

c1cc(ccc1NCC23CC4CC(C2)CC(C4)C3)F
Chemical ID:
7432766
Name [?]:
N-(1-adamantylmethyl)-4-fluoro-aniline
SMILES [?]:
c1cc(ccc1NCC23CC4CC(C2)CC(C4)C3)F
InChi [?]:
InChI=1/C17H22FN/c18-15-1-3-16(4-2-15)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,19H,5-11H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,12,15,17,14,10,18,8,13,11,16,3,6,9,19,7/E:(1,2)(3,4)(5,6,7)(8,9,10)(12,13,14)/rA:19nCCCCCCNCCCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s9s13;s13;s15;s11s16;s9s16;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22FN
All Atoms:41
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.92898
Area:422.675
Solvation:-1.6379
Coulombic:-17.5045
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:5.51
LogP (Chemaxon):4.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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