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Chemical ID: 6119028
Chemical ID:
6119028
Name [?]:
4-methoxy-N-[(1-methylindol-3-yl)methyl]aniline
SMILES [?]:
Cn1cc(c2c1cccc2)CNc3ccc(cc3)OC
InChi [?]:
InChI=1/C17H18N2O/c1-19-12-13(16-5-3-4-6-17(16)19)11-18-14-7-9-15(20-2)10-8-14/h3-10,12,18H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,9,8,10,7,14,18,15,17,11,3,4,13,16,5,6,12,2,19/E:(7,8)(9,10)/rA:20nCNCCCCCCCCCNCCCCCCOC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80648 |
Area: | 474.458 |
Solvation: | -3.05497 |
Coulombic: | -25.9182 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 266.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.67 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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