Chemical ID: 7101030

CC(c1ccccc1)NCc2cc(cc(c2OC)Br)Br
Chemical ID:
7101030
Name [?]:
N-[(3,5-dibromo-2-methoxy-phenyl)methyl]-1-phenyl-ethanamine
SMILES [?]:
CC(c1ccccc1)NCc2cc(cc(c2OC)Br)Br
InChi [?]:
InChI=1/C16H17Br2NO/c1-11(12-6-4-3-5-7-12)19-10-13-8-14(17)9-15(18)16(13)20-2/h3-9,11,19H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,6,5,7,4,8,12,14,10,2,3,11,13,15,16,20,19,9,17/E:(4,5)(6,7)/rA:20cCCCCCCCCNCCCCCCCOCBrBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17Br2NO
All Atoms:37
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:10.231
Area:496.89
Solvation:-2.1913
Coulombic:-19.0877
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:399.12
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.28
LogP (Chemaxon):5.09

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Descriptor Annotations

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