Chemical ID: 7105154

c1cc(ccc1CCNCc2ccc(c(c2)Cl)Cl)F
Chemical ID:
7105154
Name [?]:
N-[(3,4-dichlorophenyl)methyl]-2-(4-fluorophenyl)-ethanamine
SMILES [?]:
c1cc(ccc1CCNCc2ccc(c(c2)Cl)Cl)F
InChi [?]:
InChI=1/C15H14Cl2FN/c16-14-6-3-12(9-15(14)17)10-19-8-7-11-1-4-13(18)5-2-11/h1-6,9,19H,7-8,10H2
InChi Info:
AuxInfo=1/0/N:1,5,12,2,4,13,7,8,16,10,6,11,3,14,15,18,17,19,9/E:(1,2)(4,5)/rA:19nCCCCCCCCNCCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14Cl2FN
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.2952
Area:500.359
Solvation:-2.21372
Coulombic:-15.9236
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:298.182
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.81
LogP (Chemaxon):4.78

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Descriptor Annotations

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