Chemical ID: 7107261

c1cc(c(c(c1)Cl)CNC2C3CC4CC(C3)CC2C4)Cl
Chemical ID:
7107261
Name [?]:
N-[(2,6-dichlorophenyl)methyl]adamantan-2-amine
SMILES [?]:
c1cc(c(c(c1)Cl)CNC2C3CC4CC(C3)CC2C4)Cl
InChi [?]:
InChI=1/C17H21Cl2N/c18-15-2-1-3-16(19)14(15)9-20-17-12-5-10-4-11(7-12)8-13(17)6-10/h1-3,10-13,17,20H,4-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,12,19,16,17,8,13,15,11,18,4,3,5,10,20,7,9/E:(2,3)(5,6,7,8)(10,11)(12,13)(15,16)(18,19)/rA:20nCCCCCCClCNCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;s14;s11s15;s15;s10s17;s13s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21Cl2N
All Atoms:41
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.7125
Area:459.928
Solvation:-0.785739
Coulombic:-12.132
Bond Count [?]
All:23
Single:20
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:310.261
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.54
LogP (Chemaxon):4.65

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Descriptor Annotations

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