Chemical ID: 4516407

Cc1cc(ccc1N)Nc2ccc(c(c2)C)N
Chemical ID:
4516407
Name [?]:
N'-(4-amino-3-methyl-phenyl)-2-methyl-benzene-1,4-diamine
SMILES [?]:
Cc1cc(ccc1N)Nc2ccc(c(c2)C)N
InChi [?]:
InChI=1/C14H17N3/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-8,17H,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,5,11,6,12,3,15,2,14,4,10,7,13,8,17,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:17nCCCCCCCNNCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17N3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.89218
Area:418.103
Solvation:-1.56039
Coulombic:-44.5214
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:227.305
H-Bond Donors:5
H-Bond Acceptors:3
XLogP:1.21
LogP (Chemaxon):2.67

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Descriptor Annotations

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