Chemical ID: 6474500

CC(C)(CO)NCc1ccccc1OCC=C
Chemical ID:
6474500
Name [?]:
2-[(2-allyloxyphenyl)methylamino]-2-methyl-propan-1-ol
SMILES [?]:
CC(C)(CO)NCc1ccccc1OCC=C
InChi [?]:
InChI=1/C14H21NO2/c1-4-9-17-13-8-6-5-7-12(13)10-15-14(2,3)11-16/h4-8,15-16H,1,9-11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:17,1,3,16,10,11,9,12,15,7,4,8,13,2,6,5,14/E:(2,3)/rA:17nCCCCONCCCCCCCOCCC/rB:s1;s2;s2;s4;s2;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.71285
Area:445.576
Solvation:-3.42656
Coulombic:-35.7351
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:235.322
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.23
LogP (Chemaxon):2.11

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Descriptor Annotations

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