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Chemical ID: 4724506
Chemical ID:
4724506
Name [?]:
3-amino-3-(3,4-dimethoxyphenyl)-propan-1-ol
SMILES [?]:
COc1ccc(cc1OC)C(CCO)N
InChi [?]:
InChI=1/C11H17NO3/c1-14-10-4-3-8(7-11(10)15-2)9(12)5-6-13/h3-4,7,9,13H,5-6,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,4,12,13,7,6,11,3,8,15,14,2,9/rA:15cCOCCCCCCOCCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.22629 |
Area: | 401.334 |
Solvation: | -5.80705 |
Coulombic: | -42.6054 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 211.258 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.46 |
LogP (Chemaxon): | 0.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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