Chemical ID: 7517644

CC(c1ccccc1)NCc2ccc(c(c2)Br)OC
Chemical ID:
7517644
Name [?]:
N-[(3-bromo-4-methoxy-phenyl)methyl]-1-phenyl-ethanamine
SMILES [?]:
CC(c1ccccc1)NCc2ccc(c(c2)Br)OC
InChi [?]:
InChI=1/C16H18BrNO/c1-12(14-6-4-3-5-7-14)18-11-13-8-9-16(19-2)15(17)10-13/h3-10,12,18H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,6,5,7,4,8,12,13,16,10,2,11,3,15,14,17,9,18/E:(4,5)(6,7)/rA:19cCCCCCCCCNCCCCCCCBrOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrNO
All Atoms:37
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:9.3005
Area:485.943
Solvation:-2.84808
Coulombic:-18.7238
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.48
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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