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Chemical ID: 7086572
Chemical ID:
7086572
Name [?]:
N-[(4-ethoxy-3-methoxy-phenyl)methyl]pentan-1-amine
SMILES [?]:
CCCCCNCc1ccc(c(c1)OC)OCC
InChi [?]:
InChI=1/C15H25NO2/c1-4-6-7-10-16-12-13-8-9-14(18-5-2)15(11-13)17-3/h8-9,11,16H,4-7,10,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,15,2,17,3,4,9,10,5,13,7,8,11,12,6,14,16/rA:18nCCCCCNCCCCCCCOCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO2 |
All Atoms: | 43 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09681 |
Area: | 498.627 |
Solvation: | -4.36886 |
Coulombic: | -24.5181 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 251.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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