Chemical ID: 4950841

CN(C)c1ccc(c(c1)N)Cc2ccc(cc2N)N(C)C
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

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Descriptor Annotations

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