Chemical ID: 7973453

Cc1ccccc1OC[C@H](C)N
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

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