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Chemical ID: 7061790
Chemical ID:
7061790
Name [?]:
N-methyl-N-(3-phenoxypropyl)butan-1-amine
SMILES [?]:
CCCCN(C)CCCOc1ccccc1
InChi [?]:
InChI=1/C14H23NO/c1-3-4-11-15(2)12-8-13-16-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,14,13,15,8,12,16,4,7,9,11,5,10/E:(6,7)(9,10)/rA:16cCCCCNCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO |
All Atoms: | 39 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.09549 |
Area: | 457.697 |
Solvation: | -2.34693 |
Coulombic: | -14.5711 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 221.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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