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Chemical ID: 7102327
Chemical ID:
7102327
Name [?]:
N-[(2-ethoxyphenyl)methyl]butan-2-amine
SMILES [?]:
CCC(C)NCc1ccccc1OCC
InChi [?]:
InChI=1/C13H21NO/c1-4-11(3)14-10-12-8-6-7-9-13(12)15-5-2/h6-9,11,14H,4-5,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,4,2,14,9,10,8,11,6,3,7,12,5,13/rA:15cCCCCNCCCCCCCOCC/rB:s1;s2;s3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO |
All Atoms: | 36 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.95124 |
Area: | 414.924 |
Solvation: | -2.42187 |
Coulombic: | -17.5324 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 207.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.11 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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