Chemical ID: 7108973

COc1ccc(cc1CNCc2ccc(cc2)F)Cl
Chemical ID:
7108973
Name [?]:
1-(5-chloro-2-methoxy-phenyl)-N-[(4-fluorophenyl)methyl]methanamine
SMILES [?]:
COc1ccc(cc1CNCc2ccc(cc2)F)Cl
InChi [?]:
InChI=1/C15H15ClFNO/c1-19-15-7-4-13(16)8-12(15)10-18-9-11-2-5-14(17)6-3-11/h2-8,18H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,17,5,14,16,4,7,11,9,12,8,6,15,3,19,18,10,2/E:(2,3)(5,6)/rA:19nCOCCCCCCCNCCCCCCCFCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15ClFNO
All Atoms:34
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.61016
Area:476.997
Solvation:-3.31476
Coulombic:-21.9819
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.737
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.94
LogP (Chemaxon):3.75

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Descriptor Annotations

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