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Chemical ID: 4122055
Chemical ID:
4122055
Name [?]:
N-(2-furylmethyl)-1-(m-tolyl)methanamine
SMILES [?]:
Cc1cccc(c1)CNCc2ccco2
InChi [?]:
InChI=1/C13H15NO/c1-11-4-2-5-12(8-11)9-14-10-13-6-3-7-15-13/h2-8,14H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,13,3,5,12,14,7,8,10,2,6,11,9,15/rA:15nCCCCCCCCNCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.69137 |
Area: | 404.158 |
Solvation: | -2.41257 |
Coulombic: | -16.8622 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 201.264 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.38 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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