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Chemical ID: 7102839
Chemical ID:
7102839
Name [?]:
N-[(3-ethoxyphenyl)methyl]hexan-1-amine
SMILES [?]:
CCCCCCNCc1cccc(c1)OCC
InChi [?]:
InChI=1/C15H25NO/c1-3-5-6-7-11-16-13-14-9-8-10-15(12-14)17-4-2/h8-10,12,16H,3-7,11,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,16,3,4,5,11,10,12,6,14,8,9,13,7,15/rA:17nCCCCCCNCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO |
All Atoms: | 42 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91033 |
Area: | 488.778 |
Solvation: | -2.3091 |
Coulombic: | -18.5578 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 235.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.36 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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