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Chemical ID: 7102436
Chemical ID:
7102436
Name [?]:
N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCc1cccc(c1OC)OC
InChi [?]:
InChI=1/C13H21NO2/c1-13(2,3)14-9-10-7-6-8-11(15-4)12(10)16-5/h6-8,14H,9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,14,9,8,10,6,7,11,12,2,5,15,13/E:(1,2,3)/rA:16nCCCCNCCCCCCCOCOC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s11;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO2 |
All Atoms: | 37 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.61718 |
Area: | 406.747 |
Solvation: | -3.55151 |
Coulombic: | -24.4776 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 223.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.4 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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