Chemical ID: 7061715

CCCCN(C)CCOc1ccc(cc1)Br
Chemical ID:
7061715
Name [?]:
N-[2-(4-bromophenoxy)ethyl]-N-methyl-butan-1-amine
SMILES [?]:
CCCCN(C)CCOc1ccc(cc1)Br
InChi [?]:
InChI=1/C13H20BrNO/c1-3-4-9-15(2)10-11-16-13-7-5-12(14)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,12,14,11,15,4,7,8,13,10,16,5,9/E:(5,6)(7,8)/rA:16cCCCCNCCCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20BrNO
All Atoms:36
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:9.2665
Area:451.366
Solvation:-2.01765
Coulombic:-14.2883
Bond Count [?]
All:16
Single:13
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.208
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.94
LogP (Chemaxon):3.77

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Descriptor Annotations

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