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Chemical ID: 4313338
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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