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Chemical ID: 4950841
Chemical ID:
4950841
Name [?]:
4-[(2-amino-4-dimethylamino-phenyl)methyl]-N,N-dimethyl-benzene-1,3-diamine
SMILES [?]:
CN(C)c1ccc(c(c1)N)Cc2ccc(cc2N)N(C)C
InChi [?]:
InChI=1/C17H24N4/c1-20(2)14-7-5-12(16(18)10-14)9-13-6-8-15(21(3)4)11-17(13)19/h5-8,10-11H,9,18-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,20,21,6,13,5,14,11,9,16,7,12,4,15,8,17,10,18,2,19/E:(1,2,3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)/rA:21nCNCCCCCCCNCCCCCCCNNCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s7;s11;s12;d13;s14;d15;d12s16;s17;s15;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80034 |
Area: | 492.413 |
Solvation: | -2.50998 |
Coulombic: | -45.5958 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 284.399 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 2.14 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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