Chemical ID: 7285215

COc1ccc(cc1)CCNCc2ccccc2OCC#C
Chemical ID:
7285215
Name [?]:
2-(4-methoxyphenyl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
SMILES [?]:
COc1ccc(cc1)CCNCc2ccccc2OCC#C
InChi [?]:
InChI=1/C19H21NO2/c1-3-14-22-19-7-5-4-6-17(19)15-20-13-12-16-8-10-18(21-2)11-9-16/h1,4-11,20H,12-15H2,2H3
InChi Info:
AuxInfo=1/0/N:22,1,21,15,16,14,17,5,7,4,8,9,10,20,12,6,13,3,18,11,2,19/E:(8,9)(10,11)/rA:22nCOCCCCCCCCNCCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO2
All Atoms:43
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.18973
Area:550.698
Solvation:-4.57772
Coulombic:-27.423
Bond Count [?]
All:23
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:295.376
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.5
LogP (Chemaxon):3.37

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Descriptor Annotations

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