Chemical ID: 6446731

CCOc1ccc(cc1CNc2ccccc2)Br
Chemical ID:
6446731
Name [?]:
N-[(5-bromo-2-ethoxy-phenyl)methyl]aniline
SMILES [?]:
CCOc1ccc(cc1CNc2ccccc2)Br
InChi [?]:
InChI=1/C15H16BrNO/c1-2-18-15-9-8-13(16)10-12(15)11-17-14-6-4-3-5-7-14/h3-10,17H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,17,6,5,8,10,9,7,12,4,18,11,3/E:(4,5)(6,7)/rA:18nCCOCCCCCCCNCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s7;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16BrNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.15964
Area:466.313
Solvation:-2.49818
Coulombic:-21.0876
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.198
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.51
LogP (Chemaxon):4.28

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