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Chemical ID: 4170750
Chemical ID:
4170750
Name [?]:
4-methyl-N-[phenyl-(4-pyridyl)methyl]-aniline
SMILES [?]:
Cc1ccc(cc1)NC(c2ccccc2)c3ccncc3
InChi [?]:
InChI=1/C19H18N2/c1-15-7-9-18(10-8-15)21-19(16-5-3-2-4-6-16)17-11-13-20-14-12-17/h2-14,19,21H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,3,7,4,6,17,21,18,20,2,10,16,5,9,19,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:21cCCCCCCCNCCCCCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s9;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.83766 |
Area: | 484.083 |
Solvation: | -2.26442 |
Coulombic: | -19.3935 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 274.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.14 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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