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Chemical ID: 4679842
Chemical ID:
4679842
Name [?]:
3-[(ethyl-phenyl-amino)methyl]pentan-3-ol
SMILES [?]:
CCC(CC)(CN(CC)c1ccccc1)O
InChi [?]:
InChI=1/C14H23NO/c1-4-14(16,5-2)12-15(6-3)13-10-8-7-9-11-13/h7-11,16H,4-6,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,9,2,4,8,13,12,14,11,15,6,10,3,7,16/E:(1,2)(4,5)(8,9)(10,11)/rA:16cCCCCCCNCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s7;s10;d11;s12;d13;d10s14;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.59814 |
Area: | 408.633 |
Solvation: | -1.61767 |
Coulombic: | -26.0365 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 221.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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