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Chemical ID: 7090434
Chemical ID:
7090434
Name [?]:
N-(1-naphthylmethyl)-1-phenyl-ethanamine
SMILES [?]:
CC(c1ccccc1)NCc2cccc3c2cccc3
InChi [?]:
InChI=1/C19H19N/c1-15(16-8-3-2-4-9-16)20-14-18-12-7-11-17-10-5-6-13-19(17)18/h2-13,15,20H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,19,18,13,4,8,20,14,12,17,10,2,3,15,11,16,9/E:(3,4)(8,9)/rA:20cCCCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N |
All Atoms: | 39 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.14 |
Area: | 471.588 |
Solvation: | -1.64967 |
Coulombic: | -13.1946 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 261.361 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.04 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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