Chemical ID: 5873205

c1cc(ccc1CNC23CC4CC(C2)CC(C4)C3)Cl
Chemical ID:
5873205
Name [?]:
N-[(4-chlorophenyl)methyl]adamantan-1-amine
SMILES [?]:
c1cc(ccc1CNC23CC4CC(C2)CC(C4)C3)Cl
InChi [?]:
InChI=1/C17H22ClN/c18-16-3-1-12(2-4-16)11-19-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15,19H,5-11H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,12,15,17,14,10,18,7,6,13,11,16,3,9,19,8/E:(1,2)(3,4)(5,6,7)(8,9,10)(13,14,15)/rA:19nCCCCCCCNCCCCCCCCCCCl/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:C17H22ClN
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.316
Area:450.197
Solvation:-0.938935
Coulombic:-11.8123
Bond Count [?]
All:22
Single:19
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:275.816
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.03
LogP (Chemaxon):3.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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