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Chemical ID: 4413705
Chemical ID:
4413705
Name [?]:
N-methyl-N-[3-(1-naphthyloxy)propyl]butan-1-amine
SMILES [?]:
CCCCN(C)CCCOc1cccc2c1cccc2
InChi [?]:
InChI=1/C18H25NO/c1-3-4-13-19(2)14-8-15-20-18-12-7-10-16-9-5-6-11-17(16)18/h5-7,9-12H,3-4,8,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,19,18,13,8,20,14,17,12,4,7,9,15,16,11,5,10/rA:20cCCCCNCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4346 |
Area: | 515.123 |
Solvation: | -2.44345 |
Coulombic: | -15.6236 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 271.397 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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