Chemical ID: 7107260

c1cc(c(c(c1)Cl)CNC23CC4CC(C2)CC(C4)C3)Cl
Chemical ID:
7107260
Name [?]:
N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine
SMILES [?]:
c1cc(c(c(c1)Cl)CNC23CC4CC(C2)CC(C4)C3)Cl
InChi [?]:
InChI=1/C17H21Cl2N/c18-15-2-1-3-16(19)14(15)10-20-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13,20H,4-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,16,18,15,11,19,8,14,12,17,4,3,5,10,20,7,9/E:(2,3)(4,5,6)(7,8,9)(11,12,13)(15,16)(18,19)/rA:20nCCCCCCClCNCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;s10s14;s14;s16;s12s17;s10s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21Cl2N
All Atoms:41
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.553
Area:456.431
Solvation:-0.857767
Coulombic:-12.0699
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:5.66
LogP (Chemaxon):4.33

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Descriptor Annotations

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