Chemical ID: 7100930

CC(c1ccccc1)NCc2ccc(cc2)OCC=C
Chemical ID:
7100930
Name [?]:
N-[(4-allyloxyphenyl)methyl]-1-phenyl-ethanamine
SMILES [?]:
CC(c1ccccc1)NCc2ccc(cc2)OCC=C
InChi [?]:
InChI=1/C18H21NO/c1-3-13-20-18-11-9-16(10-12-18)14-19-15(2)17-7-5-4-6-8-17/h3-12,15,19H,1,13-14H2,2H3
InChi Info:
AuxInfo=1/0/N:20,1,19,6,5,7,4,8,12,16,13,15,18,10,2,11,3,14,9,17/E:(5,6)(7,8)(9,10)(11,12)/rA:20cCCCCCCCCNCCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NO
All Atoms:41
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.99579
Area:508.965
Solvation:-2.72832
Coulombic:-20.7396
Bond Count [?]
All:21
Single:14
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:267.365
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.3
LogP (Chemaxon):4.25

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