Chemical ID: 7102577

CCCCNCc1cc(ccc1OCC)Br
Chemical ID:
7102577
Name [?]:
N-[(5-bromo-2-ethoxy-phenyl)methyl]butan-1-amine
SMILES [?]:
CCCCNCc1cc(ccc1OCC)Br
InChi [?]:
InChI=1/C13H20BrNO/c1-3-5-8-15-10-11-9-12(14)6-7-13(11)16-4-2/h6-7,9,15H,3-5,8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,14,3,10,11,4,8,6,7,9,12,16,5,13/rA:16nCCCCNCCCCCCCOCCBr/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s9;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20BrNO
All Atoms:36
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.10199
Area:460.215
Solvation:-2.40339
Coulombic:-17.4272
Bond Count [?]
All:16
Single:13
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.208
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.02
LogP (Chemaxon):3.66

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