Chemical ID: 6574366

CC(C)c1ccc(cc1)N2Cc3ccccc3C2=N
Chemical ID:
6574366
Name [?]:
2-(4-isopropylphenyl)isoindolin-1-imine
SMILES [?]:
CC(C)c1ccc(cc1)N2Cc3ccccc3C2=N
InChi [?]:
InChI=1/C17H18N2/c1-12(2)13-7-9-15(10-8-13)19-11-14-5-3-4-6-16(14)17(19)18/h3-10,12,18H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,13,16,5,9,6,8,11,2,4,12,7,17,18,19,10/E:(1,2)(7,8)(9,10)/rA:19nCCCCCCCCCNCCCCCCCCN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s10s17;w18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.33488
Area:444.097
Solvation:-1.76756
Coulombic:-20.8403
Bond Count [?]
All:21
Single:14
Double:7
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:250.338
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.44
LogP (Chemaxon):4.89

Name Annotations

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Descriptor Annotations

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