Chemical ID: 7102558

CCOc1ccc(cc1CNC(C)c2ccccc2)Br
Chemical ID:
7102558
Name [?]:
N-[(5-bromo-2-ethoxy-phenyl)methyl]-1-phenyl-ethanamine
SMILES [?]:
CCOc1ccc(cc1CNC(C)c2ccccc2)Br
InChi [?]:
InChI=1/C17H20BrNO/c1-3-20-17-10-9-16(18)11-15(17)12-19-13(2)14-7-5-4-6-8-14/h4-11,13,19H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,17,16,18,15,19,6,5,8,10,12,14,9,7,4,20,11,3/E:(5,6)(7,8)/rA:20cCCOCCCCCCCNCCCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s12;s14;d15;s16;d17;d14s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20BrNO
All Atoms:40
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:10.4053
Area:508.582
Solvation:-2.30921
Coulombic:-19.1363
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.251
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.91
LogP (Chemaxon):4.64

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Descriptor Annotations

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