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Chemical ID: 3967449
Chemical ID:
3967449
Name [?]:
1-(2-methoxyphenyl)-N-methyl-propan-2-amine
SMILES [?]:
CC(Cc1ccccc1OC)NC
InChi [?]:
InChI=1/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,11,6,7,5,8,3,2,4,9,12,10/rA:13cCCCCCCCCCOCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s2;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.41139 |
Area: | 354.707 |
Solvation: | -2.45629 |
Coulombic: | -16.3241 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 179.259 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.07 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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