Chemical ID: 6119028

Cn1cc(c2c1cccc2)CNc3ccc(cc3)OC
Chemical ID:
6119028
Name [?]:
4-methoxy-N-[(1-methylindol-3-yl)methyl]aniline
SMILES [?]:
Cn1cc(c2c1cccc2)CNc3ccc(cc3)OC
InChi [?]:
InChI=1/C17H18N2O/c1-19-12-13(16-5-3-4-6-17(16)19)11-18-14-7-9-15(20-2)10-8-14/h3-10,12,18H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,9,8,10,7,14,18,15,17,11,3,4,13,16,5,6,12,2,19/E:(7,8)(9,10)/rA:20nCNCCCCCCCCCNCCCCCCOC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.80648
Area:474.458
Solvation:-3.05497
Coulombic:-25.9182
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:266.338
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.67
LogP (Chemaxon):3.79

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Descriptor Annotations

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