Chemical ID: 3997982

CC(c1ccc(cc1)n2ccnc2)N
Chemical ID:
3997982
Name [?]:
1-(4-imidazol-1-ylphenyl)ethanamine
SMILES [?]:
CC(c1ccc(cc1)n2ccnc2)N
InChi [?]:
InChI=1/C11H13N3/c1-9(12)10-2-4-11(5-3-10)14-7-6-13-8-14/h2-9H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,5,7,11,10,13,2,3,6,14,12,9/E:(2,3)(4,5)/rA:14cCCCCCCCCNCCNCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s9d12;s2;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.00584
Area:364.298
Solvation:-2.1016
Coulombic:-22.5467
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:187.241
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.48
LogP (Chemaxon):0.94

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Descriptor Annotations

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