Chemical ID: 4313338

Cc1ccc(cc1)OCCNC(C)(C)C
Chemical ID:
4313338
Name [?]:
2-methyl-N-[2-(4-methylphenoxy)ethyl]propan-2-amine
SMILES [?]:
Cc1ccc(cc1)OCCNC(C)(C)C
InChi [?]:
InChI=1/C13H21NO/c1-11-5-7-12(8-6-11)15-10-9-14-13(2,3)4/h5-8,14H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,14,15,3,7,4,6,10,9,2,5,12,11,8/E:(2,3,4)(5,6)(7,8)/rA:15nCCCCCCCOCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.22646
Area:415.05
Solvation:-2.14979
Coulombic:-17.5594
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.312
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.29
LogP (Chemaxon):2.71

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Descriptor Annotations

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