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Chemical ID: 6482922
Chemical ID:
6482922
Name [?]:
N-(2,3-dihydrobenzofuran-5-ylmethyl)cyclopropanamine
SMILES [?]:
c1cc2c(cc1CNC3CC3)CCO2
InChi [?]:
InChI=1/C12H15NO/c1-4-12-10(5-6-14-12)7-9(1)8-13-11-2-3-11/h1,4,7,11,13H,2-3,5-6,8H2
InChi Info:
AuxInfo=1/0/N:1,10,11,2,12,13,5,7,6,4,9,3,8,14/E:(2,3)/rA:14nCCCCCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s9s10;s4;s12;s3s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.12557 |
Area: | 377.332 |
Solvation: | -2.30772 |
Coulombic: | -16.628 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.84 |
LogP (Chemaxon): | 1.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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