Chemical ID: 7104639

c1cc(c(c(c1)Cl)Cl)CNC2C3CC4CC(C3)CC2C4
Chemical ID:
7104639
Name [?]:
N-[(2,3-dichlorophenyl)methyl]adamantan-2-amine
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)CNC2C3CC4CC(C3)CC2C4
InChi [?]:
InChI=1/C17H21Cl2N/c18-15-3-1-2-12(16(15)19)9-20-17-13-5-10-4-11(7-13)8-14(17)6-10/h1-3,10-11,13-14,17,20H,4-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,13,20,17,18,9,14,16,3,12,19,5,4,11,7,8,10/E:(5,6,7,8)(10,11)(13,14)/rA:20nCCCCCCClClCNCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;s10;s11;s12;s13;s14;s15;s12s16;s16;s11s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21Cl2N
All Atoms:41
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.5116
Area:457.642
Solvation:-0.929473
Coulombic:-12.0536
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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