Chemical ID: 7176782

CCOc1ccc2c(c1)c(c[nH]2)CCN
Chemical ID:
7176782
Name [?]:
2-(5-ethoxy-1H-indol-3-yl)ethanamine
SMILES [?]:
CCOc1ccc2c(c1)c(c[nH]2)CCN
InChi [?]:
InChI=1/C12H16N2O/c1-2-15-10-3-4-12-11(7-10)9(5-6-13)8-14-12/h3-4,7-8,14H,2,5-6,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,13,14,9,11,10,4,8,7,15,12,3/rA:15nCCOCCCCCCCCNCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s7s11;s10;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O
All Atoms:31
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.41738
Area:397.459
Solvation:-2.51909
Coulombic:-30.4902
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.268
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.71
LogP (Chemaxon):1.91

Name Annotations

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Descriptor Annotations

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