Chemical ID: 7105205

CCOc1c(cc(cc1Cl)Cl)CNCc2ccc(cc2)F
Chemical ID:
7105205
Name [?]:
1-(3,5-dichloro-2-ethoxy-phenyl)-N-[(4-fluorophenyl)methyl]methanamine
SMILES [?]:
CCOc1c(cc(cc1Cl)Cl)CNCc2ccc(cc2)F
InChi [?]:
InChI=1/C16H16Cl2FNO/c1-2-21-16-12(7-13(17)8-15(16)18)10-20-9-11-3-5-14(19)6-4-11/h3-8,20H,2,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,20,17,19,6,8,14,12,15,5,7,18,9,4,11,10,21,13,3/E:(3,4)(5,6)/rA:21nCCOCCCCCCClClCNCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;s5;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16Cl2FNO
All Atoms:37
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.95075
Area:528.97
Solvation:-3.27349
Coulombic:-22.5128
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:328.208
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.99
LogP (Chemaxon):4.61

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Descriptor Annotations

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