Chemical ID: 7173838

CCC(CC)[NH2+]Cc1cccc(c1)Oc2ccccc2
Chemical ID:
7173838
Name [?]:
1-ethylpropyl-[(3-phenoxyphenyl)methyl]ammonium
SMILES [?]:
CCC(CC)[NH2+]Cc1cccc(c1)Oc2ccccc2
InChi [?]:
InChI=1/C18H23NO/c1-3-16(4-2)19-14-15-9-8-12-18(13-15)20-17-10-6-5-7-11-17/h5-13,16,19H,3-4,14H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,18,17,19,10,9,16,20,11,13,7,8,3,15,12,6,14/E:(1,2)(3,4)(6,7)(10,11)/rA:20nCCCCCN+CCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24NO+
All Atoms:44
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-21.409
Area:495.244
Solvation:-33.7901
Coulombic:24.6034
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:270.389
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.61
LogP (Chemaxon):4.69

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