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Chemical ID: 4176541
Chemical ID:
4176541
Name [?]:
N,N-diethyl-5-(2-methoxyphenoxy)-pentan-1-amine
SMILES [?]:
CCN(CC)CCCCCOc1ccccc1OC
InChi [?]:
InChI=1/C16H27NO2/c1-4-17(5-2)13-9-6-10-14-19-16-12-8-7-11-15(16)18-3/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,19,2,4,8,15,14,7,9,16,13,6,10,17,12,3,18,11/E:(1,2)(4,5)/rA:19nCCNCCCCCCCOCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H27NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.38975 |
Area: | 514.201 |
Solvation: | -4.46528 |
Coulombic: | -20.8119 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 265.391 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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