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Chemical ID: 7107653
Chemical ID:
7107653
Name [?]:
N-[(4-ethoxyphenyl)methyl]butan-1-amine
SMILES [?]:
CCCCNCc1ccc(cc1)OCC
InChi [?]:
InChI=1/C13H21NO/c1-3-5-10-14-11-12-6-8-13(9-7-12)15-4-2/h6-9,14H,3-5,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,14,3,8,12,9,11,4,6,7,10,5,13/E:(6,7)(8,9)/rA:15nCCCCNCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO |
All Atoms: | 36 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62928 |
Area: | 435.326 |
Solvation: | -2.25388 |
Coulombic: | -17.9668 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 207.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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