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Chemical ID: 7103403
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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