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Chemical ID: 5788071
Chemical ID:
5788071
Name [?]:
4-amino-2-(diethylaminomethyl)phenol
SMILES [?]:
CCN(CC)Cc1cc(ccc1O)N
InChi [?]:
InChI=1/C11H18N2O/c1-3-13(4-2)8-9-7-10(12)5-6-11(9)14/h5-7,14H,3-4,8,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,11,8,6,7,9,12,14,3,13/E:(1,2)(3,4)/rA:14nCCNCCCCCCCCCON/rB:s1;s2;s3;s4;s3;s6;s7;d8;s9;d10;d7s11;s12;s9;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.74822 |
Area: | 372.123 |
Solvation: | -2.55485 |
Coulombic: | -37.2055 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.273 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.97 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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