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Chemical ID: 7061795
Chemical ID:
7061795
Name [?]:
N-[3-(2-methoxyphenoxy)propyl]-N-methyl-butan-1-amine
SMILES [?]:
CCCCN(C)CCCOc1ccccc1OC
InChi [?]:
InChI=1/C15H25NO2/c1-4-5-11-16(2)12-8-13-18-15-10-7-6-9-14(15)17-3/h6-7,9-10H,4-5,8,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,6,18,2,3,14,13,8,15,12,4,7,9,16,11,5,17,10/rA:18cCCCCNCCCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO2 |
All Atoms: | 43 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.82519 |
Area: | 493.684 |
Solvation: | -4.51692 |
Coulombic: | -20.7497 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 251.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.14 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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