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Chemical ID: 7973453
Chemical ID:
7973453
Name [?]:
1-(2-methylphenoxy)propan-2-amine
SMILES [?]:
Cc1ccccc1OC[C@H](C)N
InChi [?]:
InChI=1/C10H15NO/c1-8-5-3-4-6-10(8)12-7-9(2)11/h3-6,9H,7,11H2,1-2H3/t9-/m0/s1
InChi Info:
AuxInfo=1/0/N:1,11,4,5,3,6,9,2,10,7,12,8/it:im/rA:12cCCCCCCCOCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s10;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;.0057,-.6889,-1.198;.024,-2.0712,-1.2062;.0391,-2.772,-.0142;.0359,-2.092,1.1881;.023,-.7046,1.1991;.0203,-.0333,2.3807;.0327,-1.0186,3.4156;.0304,-.3256,4.7796;-1.16,.6319,4.8632;1.2792,.4297,4.9472;
Chemical Details
Atom Count
Formula: | C10H15NO |
All Atoms: | 27 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.656 |
Area: | 344.416 |
Solvation: | -1.95442 |
Coulombic: | -21.0351 |
Bond Count [?]
All: | 27 |
Single: | 24 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.232 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.85 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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