Chemical ID: 7061728

Cc1ccc(cc1)OCCCN(C)C
Chemical ID:
7061728
Name [?]:
N,N-dimethyl-3-(4-methylphenoxy)-propan-1-amine
SMILES [?]:
Cc1ccc(cc1)OCCCN(C)C
InChi [?]:
InChI=1/C12H19NO/c1-11-5-7-12(8-6-11)14-10-4-9-13(2)3/h5-8H,4,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,14,10,3,7,4,6,11,9,2,5,12,8/E:(2,3)(5,6)(7,8)/rA:14nCCCCCCCOCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO
All Atoms:33
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.63882
Area:400.867
Solvation:-2.38287
Coulombic:-13.4429
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:193.285
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.58
LogP (Chemaxon):2.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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