Chemical ID: 4460730

CCOc1ccc(cc1CNc2ccc(cc2)C)Br
Chemical ID:
4460730
Name [?]:
N-[(5-bromo-2-ethoxy-phenyl)methyl]-4-methyl-aniline
SMILES [?]:
CCOc1ccc(cc1CNc2ccc(cc2)C)Br
InChi [?]:
InChI=1/C16H18BrNO/c1-3-19-16-9-6-14(17)10-13(16)11-18-15-7-4-12(2)5-8-15/h4-10,18H,3,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,14,16,6,13,17,5,8,10,15,9,7,12,4,19,11,3/E:(4,5)(7,8)/rA:19nCCOCCCCCCCNCCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s7;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.72911
Area:489.649
Solvation:-2.51213
Coulombic:-20.835
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.224
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.95
LogP (Chemaxon):4.75

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Descriptor Annotations

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