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Chemical ID: 7107004
Chemical ID:
7107004
Name [?]:
N-[(2-methoxyphenyl)methyl]-2-methyl-propan-2-amine
SMILES [?]:
CC(C)(C)NCc1ccccc1OC
InChi [?]:
InChI=1/C12H19NO/c1-12(2,3)13-9-10-7-5-6-8-11(10)14-4/h5-8,13H,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,9,10,8,11,6,7,12,2,5,13/E:(1,2,3)/rA:14nCCCCNCCCCCCCOC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO |
All Atoms: | 33 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.94916 |
Area: | 379.458 |
Solvation: | -2.53728 |
Coulombic: | -16.9538 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 193.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.75 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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