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Chemical ID: 7101874
Chemical ID:
7101874
Name [?]:
N-[(4-allyloxyphenyl)methyl]propan-1-amine
SMILES [?]:
CCCNCc1ccc(cc1)OCC=C
InChi [?]:
InChI=1/C13H19NO/c1-3-9-14-11-12-5-7-13(8-6-12)15-10-4-2/h4-8,14H,2-3,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,2,14,7,11,8,10,3,13,5,6,9,4,12/E:(5,6)(7,8)/rA:15nCCCNCCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 34 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47031 |
Area: | 430.514 |
Solvation: | -2.29253 |
Coulombic: | -19.3594 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.85 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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