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Chemical ID: 7101715
Chemical ID:
7101715
Name [?]:
N-[(2-methoxyphenyl)methyl]ethanamine
SMILES [?]:
CCNCc1ccccc1OC
InChi [?]:
InChI=1/C10H15NO/c1-3-11-8-9-6-4-5-7-10(9)12-2/h4-7,11H,3,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,7,8,6,9,4,5,10,3,11/rA:12nCCNCCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15NO |
All Atoms: | 27 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.13007 |
Area: | 348.132 |
Solvation: | -2.57322 |
Coulombic: | -16.8046 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 165.232 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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