Chemical ID: 4497400

CN(CCO)Cc1ccc2c(c1)OCO2
Chemical ID:
4497400
Name [?]:
2-(benzo[1,3]dioxol-5-ylmethyl-methyl-amino)ethanol
SMILES [?]:
CN(CCO)Cc1ccc2c(c1)OCO2
InChi [?]:
InChI=1/C11H15NO3/c1-12(4-5-13)7-9-2-3-10-11(6-9)15-8-14-10/h2-3,6,13H,4-5,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,3,4,12,6,14,7,10,11,2,5,15,13/rA:15cCNCCOCCCCCCCOCO/rB:s1;s2;s3;s4;s2;s6;s7;d8;s9;d10;d7s11;s11;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:5.19827
Area:385.403
Solvation:-4.43681
Coulombic:-37.3534
Bond Count [?]
All:16
Single:13
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:209.242
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.82
LogP (Chemaxon):1.17

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Descriptor Annotations

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