Chemical ID: 4514943

CCN(CC)CCc1c[nH]c2c1cccc2
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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Descriptor Annotations

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