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Chemical ID: 4123477
Chemical ID:
4123477
Name [?]:
3-(4-methoxyphenoxy)propan-1-amine
SMILES [?]:
COc1ccc(cc1)OCCCN
InChi [?]:
InChI=1/C10H15NO2/c1-12-9-3-5-10(6-4-9)13-8-2-7-11/h3-6H,2,7-8,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,4,8,5,7,12,10,3,6,13,2,9/E:(3,4)(5,6)/rA:13nCOCCCCCCOCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.828 |
Area: | 373.221 |
Solvation: | -3.50251 |
Coulombic: | -26.9379 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 181.232 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.43 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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