Chemical ID: 6733439

Cc1ccccc1C[NH2+]Cc2ccccc2OC
Chemical ID:
6733439
Name [?]:
(2-methoxyphenyl)methyl-(o-tolylmethyl)ammonium
SMILES [?]:
Cc1ccccc1C[NH2+]Cc2ccccc2OC
InChi [?]:
InChI=1/C16H19NO/c1-13-7-3-4-8-14(13)11-17-12-15-9-5-6-10-16(15)18-2/h3-10,17H,11-12H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,18,4,5,13,14,3,6,12,15,8,10,2,7,11,16,9,17/rA:18nCCCCCCCCN+CCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20NO+
All Atoms:38
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-19.8262
Area:450.271
Solvation:-31.083
Coulombic:22.1248
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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Descriptor Annotations

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