Chemical ID: 7973455

Cc1ccc(cc1)OC[C@H](C)N
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

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