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Chemical ID: 4181872
Chemical ID:
4181872
Name [?]:
N-(1H-indol-3-ylmethyl)-2,5-dimethyl-aniline
SMILES [?]:
Cc1ccc(c(c1)NCc2c[nH]c3c2cccc3)C
InChi [?]:
InChI=1/C17H18N2/c1-12-7-8-13(2)17(9-12)19-11-14-10-18-16-6-4-3-5-15(14)16/h3-10,18-19H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,16,17,15,18,3,4,7,11,9,2,5,10,14,13,6,12,8/rA:19nCCCCCCCNCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;s12;s10s13;d14;s15;d16;d13s17;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80596 |
Area: | 456.044 |
Solvation: | -1.59514 |
Coulombic: | -24.6023 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 250.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.11 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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