Chemical ID: 6474499

CC(C)(C)NCc1cc(ccc1OCC=C)Br
Chemical ID:
6474499
Name [?]:
N-[(2-allyloxy-5-bromo-phenyl)methyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCc1cc(ccc1OCC=C)Br
InChi [?]:
InChI=1/C14H20BrNO/c1-5-8-17-13-7-6-12(15)9-11(13)10-16-14(2,3)4/h5-7,9,16H,1,8,10H2,2-4H3
InChi Info:
AuxInfo=1/0/N:16,1,3,4,15,10,11,14,8,6,7,9,12,2,17,5,13/E:(2,3,4)/rA:17nCCCCNCCCCCCCOCCCBr/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;d15;s9;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20BrNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.0878
Area:460.188
Solvation:-2.41689
Coulombic:-18.5918
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:298.219
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.16
LogP (Chemaxon):3.69

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Descriptor Annotations

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