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Chemical ID: 4255222
Chemical ID:
4255222
Name [?]:
1-phenyl-N-(p-tolylmethyl)ethanamine
SMILES [?]:
Cc1ccc(cc1)CNC(C)c2ccccc2
InChi [?]:
InChI=1/C16H19N/c1-13-8-10-15(11-9-13)12-17-14(2)16-6-4-3-5-7-16/h3-11,14,17H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,15,14,16,13,17,3,7,4,6,8,2,10,5,12,9/E:(4,5)(6,7)(8,9)(10,11)/rA:17cCCCCCCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.71508 |
Area: | 441.2 |
Solvation: | -1.31491 |
Coulombic: | -12.3971 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 225.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.21 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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