Chemical ID: 5553347

c1ccc2cc(ccc2c1)CNCCc3c[nH]c4c3cccc4
Chemical ID:
5553347
Name [?]:
2-(1H-indol-3-yl)-N-(2-naphthylmethyl)ethanamine
SMILES [?]:
c1ccc2cc(ccc2c1)CNCCc3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C21H20N2/c1-2-6-18-13-16(9-10-17(18)5-1)14-22-12-11-19-15-23-21-8-4-3-7-20(19)21/h1-10,13,15,22-23H,11-12,14H2
InChi Info:
AuxInfo=1/0/N:1,2,21,22,10,3,20,23,7,8,14,13,5,11,16,6,9,4,15,19,18,12,17/rA:23nCCCCCCCCCCCNCCCCNCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;s13;s14;d15;s16;s17;s15s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.2629
Area:531.215
Solvation:-2.01743
Coulombic:-23.0951
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:300.397
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.74
LogP (Chemaxon):5.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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