Chemical ID: 4853670

Cc1ccc(c(c1)CNc2cccc3c2nccc3)O
Chemical ID:
4853670
Name [?]:
4-methyl-2-(8-quinolylaminomethyl)phenol
SMILES [?]:
Cc1ccc(c(c1)CNc2cccc3c2nccc3)O
InChi [?]:
InChI=1/C17H16N2O/c1-12-7-8-16(20)14(10-12)11-19-15-6-2-4-13-5-3-9-18-17(13)15/h2-10,19-20H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,18,13,19,11,3,4,17,7,8,2,14,6,10,5,15,16,9,20/rA:20nCCCCCCCCNCCCCCCNCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;s17;s14d18;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.4154
Area:462.496
Solvation:-3.147
Coulombic:-34.4002
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:264.322
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.51
LogP (Chemaxon):3.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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