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Chemical ID: 4179941
Chemical ID:
4179941
Name [?]:
1-ethylamino-3-phenoxy-propan-2-ol
SMILES [?]:
CCNCC(COc1ccccc1)O
InChi [?]:
InChI=1/C11H17NO2/c1-2-12-8-10(13)9-14-11-6-4-3-5-7-11/h3-7,10,12-13H,2,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,9,13,4,6,5,8,3,14,7/E:(4,5)(6,7)/rA:14cCCNCCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.66243 |
Area: | 400.15 |
Solvation: | -4.34133 |
Coulombic: | -33.1658 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 195.258 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.3 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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