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Chemical ID: 4440826
Chemical ID:
4440826
Name [?]:
N-benzyl-N-methyl-3-(1-naphthyloxy)propan-1-amine
SMILES [?]:
CN(CCCOc1cccc2c1cccc2)Cc3ccccc3
InChi [?]:
InChI=1/C21H23NO/c1-22(17-18-9-3-2-4-10-18)15-8-16-23-21-14-7-12-19-11-5-6-13-20(19)21/h2-7,9-14H,8,15-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,15,14,9,4,19,23,16,10,13,8,3,5,17,18,11,12,7,2,6/E:(3,4)(9,10)/rA:23cCNCCCOCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s14;s11d15;s2;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23NO |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5914 |
Area: | 541.22 |
Solvation: | -2.93913 |
Coulombic: | -16.4861 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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