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Chemical ID: 4516407
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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