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Chemical ID: 7108514
Chemical ID:
7108514
Name [?]:
N-[(3-bromophenyl)methyl]-2,4,4-trimethyl-pentan-2-amine
SMILES [?]:
CC(C)(C)CC(C)(C)NCc1cccc(c1)Br
InChi [?]:
InChI=1/C15H24BrN/c1-14(2,3)11-15(4,5)17-10-12-7-6-8-13(16)9-12/h6-9,17H,10-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,13,12,14,16,10,5,11,15,2,6,17,9/E:(1,2,3)(4,5)/rA:17nCCCCCCCCNCCCCCCCBr/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24BrN |
All Atoms: | 41 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4136 |
Area: | 444.996 |
Solvation: | -0.711277 |
Coulombic: | -11.7767 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.262 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.67 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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