Chemical ID: 3969778

c1ccc(cc1)COc2cccc(c2)N
Chemical ID:
3969778
Name [?]:
3-benzyloxyaniline
SMILES [?]:
c1ccc(cc1)COc2cccc(c2)N
InChi [?]:
InChI=1/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,3,5,12,10,14,7,4,13,9,15,8/E:(2,3)(5,6)/rA:15nCCCCCCCOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.34485
Area:388.083
Solvation:-2.35723
Coulombic:-26.2902
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:199.248
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.83
LogP (Chemaxon):2.79

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Descriptor Annotations

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