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Chemical ID: 4514943
Chemical ID:
4514943
Name [?]:
N-ethyl-N-[2-(1H-indol-3-yl)ethyl]ethanamine
SMILES [?]:
CCN(CC)CCc1c[nH]c2c1cccc2
InChi [?]:
InChI=1/C14H20N2/c1-3-16(4-2)10-9-12-11-15-14-8-6-5-7-13(12)14/h5-8,11,15H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,14,15,13,16,7,6,9,8,12,11,10,3/E:(1,2)(3,4)/rA:16nCCNCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;s10;s8s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16121 |
Area: | 421.99 |
Solvation: | -1.38853 |
Coulombic: | -17.2909 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 216.322 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.85 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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