Chemical ID: 6711022

Cc1cccc(c1)C[NH2+]Cc2ccc(cc2)OC
Chemical ID:
6711022
Name [?]:
(4-methoxyphenyl)methyl-(m-tolylmethyl)ammonium
SMILES [?]:
Cc1cccc(c1)C[NH2+]Cc2ccc(cc2)OC
InChi [?]:
InChI=1/C16H19NO/c1-13-4-3-5-15(10-13)12-17-11-14-6-8-16(18-2)9-7-14/h3-10,17H,11-12H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,18,4,3,5,12,16,13,15,7,10,8,2,11,6,14,9,17/E:(6,7)(8,9)/rA:18nCCCCCCCCN+CCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20NO+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-24.3056
Area:461.221
Solvation:-35.8361
Coulombic:26.8042
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:242.336
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.6
LogP (Chemaxon):3.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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