Chemical ID: 5667669

CC(C)Oc1ccc(cc1OC)C2c3c(c4ccccc4[nH]3)CC[NH2+]2
Chemical ID:
5667669
Name [?]:
None
SMILES [?]:
CC(C)Oc1ccc(cc1OC)C2c3c(c4ccccc4[nH]3)CC[NH2+]2
InChi [?]:
InChI=1/C21H24N2O2/c1-13(2)25-18-9-8-14(12-19(18)24-3)20-21-16(10-11-22-20)15-6-4-5-7-17(15)23-21/h4-9,12-13,20,22-23H,10-11H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,12,18,19,17,20,7,6,23,24,9,2,8,16,15,21,5,10,13,14,25,22,11,4/E:(1,2)/rA:25cCCCOCCCCCCOCCCCCCCCCCNCCN+/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;s15;s23;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N2O2+
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:-25.5604
Area:541.595
Solvation:-39.1002
Coulombic:12.5982
Bond Count [?]
All:28
Single:21
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:337.435
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.48
LogP (Chemaxon):3.82

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Descriptor Annotations

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