Chemical ID: 5829725

C=CCN(CC=C)Cc1ccccc1O
Chemical ID:
5829725
Name [?]:
2-(diallylaminomethyl)phenol
SMILES [?]:
C=CCN(CC=C)Cc1ccccc1O
InChi [?]:
InChI=1/C13H17NO/c1-3-9-14(10-4-2)11-12-7-5-6-8-13(12)15/h3-8,15H,1-2,9-11H2
InChi Info:
AuxInfo=1/0/N:1,7,2,6,11,12,10,13,3,5,8,9,14,4,15/E:(1,2)(3,4)(9,10)/rA:15nCCCNCCCCCCCCCCO/rB:d1;s2;s3;s4;s5;d6;s4;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.54633
Area:379.094
Solvation:-1.93102
Coulombic:-25.5637
Bond Count [?]
All:15
Single:10
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:203.28
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.6
LogP (Chemaxon):3.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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