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Chemical ID: 6662040
Chemical ID:
6662040
Name [?]:
N-[(4-dimethylaminophenyl)methyl]-2,4-dimethyl-aniline
SMILES [?]:
Cc1ccc(c(c1)C)NCc2ccc(cc2)N(C)C
InChi [?]:
InChI=1/C17H22N2/c1-13-5-10-17(14(2)11-13)18-12-15-6-8-16(9-7-15)19(3)4/h5-11,18H,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,18,19,3,12,16,13,15,4,7,10,2,6,11,14,5,9,17/E:(3,4)(6,7)(8,9)/rA:19nCCCCCCCCNCCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2142 |
Area: | 480.213 |
Solvation: | -1.79107 |
Coulombic: | -19.8087 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.37 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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