Chemical ID: 4724506

COc1ccc(cc1OC)C(CCO)N
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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