Chemical ID: 7100895

C=CCOc1ccc(cc1)CNCc2ccccc2
Chemical ID:
7100895
Name [?]:
1-(4-allyloxyphenyl)-N-benzyl-methanamine
SMILES [?]:
C=CCOc1ccc(cc1)CNCc2ccccc2
InChi [?]:
InChI=1/C17H19NO/c1-2-12-19-17-10-8-16(9-11-17)14-18-13-15-6-4-3-5-7-15/h2-11,18H,1,12-14H2
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,15,19,7,9,6,10,3,13,11,14,8,5,12,4/E:(4,5)(6,7)(8,9)(10,11)/rA:19nCCCOCCCCCCCNCCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO
All Atoms:38
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.47759
Area:491.381
Solvation:-2.80694
Coulombic:-20.4708
Bond Count [?]
All:20
Single:13
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:253.339
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.77
LogP (Chemaxon):3.84

Name Annotations

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Descriptor Annotations

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