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Chemical ID: 7973455
Chemical ID:
7973455
Name [?]:
1-(4-methylphenoxy)propan-2-amine
SMILES [?]:
Cc1ccc(cc1)OC[C@H](C)N
InChi [?]:
InChI=1/C10H15NO/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6,9H,7,11H2,1-2H3/t9-/m0/s1
InChi Info:
AuxInfo=1/0/N:1,11,3,7,4,6,9,2,10,5,12,8/E:(3,4)(5,6)/it:im/rA:12cCCCCCCCOCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s10;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;.0057,-.6876,-1.1998;.024,-2.0689,-1.2101;.0391,-2.7702,-.0132;.0359,-2.082,1.1914;.0229,-.7006,1.1962;.0567,-4.1291,-.0207;.0691,-4.5495,1.345;.0891,-6.0781,1.4079;1.2736,-6.6064,.5962;-1.1622,-6.6076,.8496;
Chemical Details
Atom Count
Formula: | C10H15NO |
All Atoms: | 27 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.69073 |
Area: | 347.098 |
Solvation: | -1.98672 |
Coulombic: | -20.8849 |
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: | 2.06 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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