Chemical ID: 7103403

c1cc(ccc1CNCc2ccc(cc2)Br)F
Chemical ID:
7103403
Name [?]:
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)-methanamine
SMILES [?]:
c1cc(ccc1CNCc2ccc(cc2)Br)F
InChi [?]:
InChI=1/C14H13BrFN/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,17H,9-10H2
InChi Info:
AuxInfo=1/0/N:11,15,1,5,12,14,2,4,9,7,10,6,13,3,16,17,8/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCCCCCCNCCCCCCCBrF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13BrFN
All Atoms:30
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.78146
Area:440.505
Solvation:-2.23116
Coulombic:-15.1892
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:294.162
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.2
LogP (Chemaxon):4.28

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Descriptor Annotations

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